Brian Shoichet, PhD

Title(s)Professor, Pharmaceutical Chemistry
SchoolSchool of Pharmacy
Address1700 4th St, #508D
San Francisco CA 94158
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    Collapse Biography 
    Collapse Education and Training
    University of California, San FranciscoPh.D.1991 Graduate Division (Pharmaceutical Chemistry)
    Collapse Awards and Honors
    1993  - 1996Damon Runyon-Walter Winchell Cancer Research Fellow
    PhRMA Foundation1997  - 1999Career Development Award
    National Science Foundation1998  - 2003CAREER Award
    Northwestern University2001Dean’s Award for Teaching Excellence
    University of Ottawa2004Astra Lectureship
    2006  - 2007Novartis Chemistry Lecturer (Cambridge, Basel, Vienna, Horsham, Tsukuba, Emeryville)
    2008Swiss Universities 3e Cycle en Chimie (Lausanne, Bern, Friborg, Geneva)
    Yale University2009Abbott Lectureship
    2011Society for Biomolecular Sciences Accomplishment Award
    University of Michigan2011Topliss Lectureship

    Collapse Overview 
    Collapse Overview
    The Shoichet lab seeks to discover chemical reagents that can illuminate biological problems. A longstanding effort to do so is by exploiting protein structures to predict new reagents and therapeutic leads (structure-based ligand discovery). Two ongoing projects are 1. Developing new computational methods for ligand discovery and 2. Applying these to G-Protein Coupled Receptors (GPCRs), which are the single largest family of signaling receptors in human cells.

    Allied with this effort is an experimental research program that 3. Tests the new methods in well-controlled systems, determining x-ray crystal structures and measuring binding thermodynamics. The experimental program has led to unexpected discoveries, including the observation that many drugs and reagents can form colloidal aggregates in solution. This has led us to investigate 4. How the physical organic chemistry of drugs affects their behavior in vitro and in vivo, influencing drug delivery and formulation.

    A new effort turns the entire structural view on its head, 5. Developing computational methods to relate receptors by the similarity of their ligands, rather than by protein sequence or structure. This changes pharmacological relationships dramatically—targets that would normally be considered sequence neighbors are pushed far apart (because their ligands are dissimilar), whereas other targets that supposedly have nothing to do with one another become neighbors (because their ligands are very similar). Since the new relationships are articulated by ligands, they may be directly tested both on isolated receptors and, increasingly, against model whole organisms, such as zebra fish, C. elegans and mice. This project seeks to discover the integrated chemical circuits through which drugs and reagents affect whole organisms. "

    Collapse Research 
    Collapse Research Activities and Funding
    Illuminating the Druggable GPCR-ome
    NIH U24DK116195Sep 15, 2017 - Aug 31, 2023
    Role: Co-Principal Investigator
    Development and Testing of New Computational Methods for Ligand Discovery and Mechanism
    NIH R35GM122481Jun 1, 2017 - May 31, 2022
    Role: Principal Investigator
    Molecular Details of Psychoactive Drug Actions
    NIH R01MH112205Mar 6, 2017 - Dec 31, 2021
    Role: Co-Principal Investigator
    Scalable technologies for illuminating the druggable GPCR-ome
    NIH U01MH104974Aug 1, 2014 - Apr 30, 2018
    Role: Co-Principal Investigator
    Promiscuous and Specific Inhibitors of Cruzain
    NIH R03DA024891Sep 1, 2007 - Aug 31, 2008
    Role: Principal Investigator
    A Web-Based Automatic Virtual Screening System
    NIH R01GM071896Aug 1, 2004 - Apr 30, 2025
    Role: Principal Investigator
    Structure, Function and Inhibition of Beta-Lactamases
    NIH R01GM063815Aug 1, 2001 - Feb 28, 2015
    Role: Principal Investigator
    Design and Experimental Testing of New Docking Methods
    NIH R01GM059957Aug 1, 1999 - Nov 30, 2018
    Role: Principal Investigator
    A Specific Mechanism for non-specific inhibition
    NIH R01GM071630Aug 1, 1992 - May 31, 2019
    Role: Principal Investigator
    Bio-Organic Biomedical Mass Spectrometry Resource
    NIH P41RR001614Mar 1, 1982 - May 31, 2015
    Role: Co-Investigator
    Degenerative and Dementing Diseases of Aging
    NIH P01AG002132Jan 1, 1981 - Mar 31, 2025
    Role: Co-Investigator
    Resource for Biocomputing, Visualization, and Informatics
    NIH/NCRR P41RR001081Jun 1, 1976 - Sep 14, 2012
    Role: Co-Investigator

    Collapse ORNG Applications 
    Collapse Academic Senate

    Collapse Bibliographic 
    Collapse Publications
    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help. to make corrections and additions.
    Newest   |   Oldest   |   Most Cited   |   Most Discussed   |   Timeline   |   Field Summary   |   Plain Text
    Altmetrics Details PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.
    1. Profiling the proximal proteome of the activated μ-opioid receptor. Nat Chem Biol. 2024 Mar 25. Polacco BJ, Lobingier BT, Blythe EE, Abreu N, Khare P, Howard MK, Gonzalez-Hernandez AJ, Xu J, Li Q, Novy B, Naing ZZC, Shoichet BK, Coyote-Maestas W, Levitz J, Krogan NJ, Von Zastrow M, Hüttenhain R. PMID: 38528119.
      View in: PubMed   Mentions: 1     Fields:    
    2. Structure-based discovery of CFTR potentiators and inhibitors. bioRxiv. 2024 Mar 11. Liu F, Kaplan AL, Levring J, Einsiedel J, Tiedt S, Distler K, Omattage NS, Kondratov IS, Moroz YS, Pietz HL, Irwin JJ, Gmeiner P, Shoichet BK, Chen J. PMID: 37745391; PMCID: PMC10515777.
      View in: PubMed   Mentions:
    3. Small vs. Large Library Docking for Positive Allosteric Modulators of the Calcium Sensing Receptor. bioRxiv. 2024 Mar 06. Liu F, Wu CG, Tu CL, Glenn I, Meyerowitz J, Levit Kaplan A, Lyu J, Cheng Z, Tarkhanova OO, Moroz YS, Irwin JJ, Chang W, Shoichet BK, Skiniotis G. PMID: 38234749; PMCID: PMC10793424.
      View in: PubMed   Mentions:
    4. Large library docking for cannabinoid-1 receptor agonists with reduced side effects. bioRxiv. 2024 Feb 28. Tummino TA, Iliopoulos-Tsoutsouvas C, Braz JM, O'Brien ES, Stein RM, Craik V, Tran NK, Ganapathy S, Liu F, Shiimura Y, Tong F, Ho TC, Radchenko DS, Moroz YS, Rosado SR, Bhardwaj K, Benitez J, Liu Y, Kandasamy H, Normand C, Semache M, Sabbagh L, Glenn I, Irwin JJ, Kumar KK, Makriyannis A, Basbaum AI, Shoichet BK. PMID: 38328157; PMCID: PMC10849508.
      View in: PubMed   Mentions:
    5. Docking for Molecules That Bind in a Symmetric Stack with SymDOCK. J Chem Inf Model. 2024 Jan 22; 64(2):425-434. Smith MS, Knight IS, Kormos RC, Pepe JG, Kunach P, Diamond MI, Shahmoradian SH, Irwin JJ, DeGrado WF, Shoichet BK. PMID: 38191997; PMCID: PMC10806807.
      View in: PubMed   Mentions:    Fields:    Translation:Cells
    6. AlphaFold2 structures template ligand discovery. bioRxiv. 2023 Dec 21. Lyu J, Kapolka N, Gumpper R, Alon A, Wang L, Jain MK, Barros-Álvarez X, Sakamoto K, Kim Y, DiBerto J, Kim K, Tummino TA, Huang S, Irwin JJ, Tarkhanova OO, Moroz Y, Skiniotis G, Kruse AC, Shoichet BK, Roth BL. PMID: 38187536; PMCID: PMC10769324.
      View in: PubMed   Mentions:
    7. Docking for EP4R antagonists active against inflammatory pain. Nat Commun. 2023 Dec 06; 14(1):8067. Gahbauer S, DeLeon C, Braz JM, Craik V, Kang HJ, Wan X, Huang XP, Billesbølle CB, Liu Y, Che T, Deshpande I, Jewell M, Fink EA, Kondratov IS, Moroz YS, Irwin JJ, Basbaum AI, Roth BL, Shoichet BK. PMID: 38057319; PMCID: PMC10700596.
      View in: PubMed   Mentions:    Fields:    Translation:HumansAnimals
    8. Preparing for the next pandemic. Science. 2023 11 10; 382(6671):649-650. Shoichet BK, Craik CS. PMID: 37943911.
      View in: PubMed   Mentions:    Fields:    Translation:HumansPHPublic Health
    9. Colloidal aggregation confounds cell-based Covid-19 antiviral screens. bioRxiv. 2023 Oct 30. Glenn IS, Hall LN, Khalid MM, Ott M, Shoichet BK. PMID: 37961552; PMCID: PMC10634915.
      View in: PubMed   Mentions:
    10. Docking for molecules that bind in a symmetric stack with SymDOCK. bioRxiv. 2023 Oct 29. Smith MS, Knight IS, Kormos RC, Pepe JG, Kunach P, Diamond MI, Shahmoradian SH, Irwin JJ, DeGrado WF, Shoichet BK. PMID: 37961414; PMCID: PMC10634874.
      View in: PubMed   Mentions:
    11. Proteomic and genetic analyses of influenza A viruses identify pan-viral host targets. Nat Commun. 2023 09 27; 14(1):6030. Haas KM, McGregor MJ, Bouhaddou M, Polacco BJ, Kim EY, Nguyen TT, Newton BW, Urbanowski M, Kim H, Williams MAP, Rezelj VV, Hardy A, Fossati A, Stevenson EJ, Sukerman E, Kim T, Penugonda S, Moreno E, Braberg H, Zhou Y, Metreveli G, Harjai B, Tummino TA, Melnyk JE, Soucheray M, Batra J, Pache L, Martin-Sancho L, Carlson-Stevermer J, Jureka AS, Basler CF, Shokat KM, Shoichet BK, Shriver LP, Johnson JR, Shaw ML, Chanda SK, Roden DM, Carter TC, Kottyan LC, Chisholm RL, Pacheco JA, Smith ME, Schrodi SJ, Albrecht RA, Vignuzzi M, Zuliani-Alvarez L, Swaney DL, Eckhardt M, Wolinsky SM, White KM, Hultquist JF, Kaake RM, García-Sastre A, Krogan NJ. PMID: 37758692; PMCID: PMC10533562.
      View in: PubMed   Mentions: 3     Fields:    Translation:HumansCells
    12. Cryo-EM structure of Alzheimer's disease tau filaments with PET ligand MK-6240. bioRxiv. 2023 Sep 22. Kunach P, Vaquer-Alicea J, Smith MS, Hopewell R, Monistrol J, Moquin L, Therriault J, Tissot C, Rahmouni N, Massarweh G, Soucy JP, Guiot MC, Shoichet BK, Rosa-Neto P, Diamond MI, Shahmoradian SH. PMID: 37790438; PMCID: PMC10542181.
      View in: PubMed   Mentions:
    13. Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun. 2023 08 12; 14(1):4874. Feng S, Puchades C, Ko J, Wu H, Chen Y, Figueroa EE, Gu S, Han TW, Ho B, Cheng T, Li J, Shoichet B, Jan YN, Cheng Y, Jan LY. PMID: 37573365; PMCID: PMC10423226.
      View in: PubMed   Mentions: 3     Fields:    Translation:HumansCells
    14. Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci. 2023 08; 32(8):e4712. Fink EA, Bardine C, Gahbauer S, Singh I, Detomasi TC, White K, Gu S, Wan X, Chen J, Ary B, Glenn I, O'Connell J, O'Donnell H, Fajtová P, Lyu J, Vigneron S, Young NJ, Kondratov IS, Alisoltani A, Simons LM, Lorenzo-Redondo R, Ozer EA, Hultquist JF, O'Donoghue AJ, Moroz YS, Taunton J, Renslo AR, Irwin JJ, García-Sastre A, Shoichet BK, Craik CS. PMID: 37354015; PMCID: PMC10364469.
      View in: PubMed   Mentions: 5     Fields:    Translation:HumansCellsPHPublic Health
    15. Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase. J Med Chem. 2023 06 22; 66(12):7785-7803. Singh I, Li F, Fink EA, Chau I, Li A, Rodriguez-Hernández A, Glenn I, Zapatero-Belinchón FJ, Rodriguez ML, Devkota K, Deng Z, White K, Wan X, Tolmachova NA, Moroz YS, Kaniskan HÜ, Ott M, García-Sastre A, Jin J, Fujimori DG, Irwin JJ, Vedadi M, Shoichet BK. PMID: 37294077; PMCID: PMC10374283.
      View in: PubMed   Mentions: 5     Fields:    Translation:HumansCells
    16. Structure-based discovery of conformationally selective inhibitors of the serotonin transporter. Cell. 2023 05 11; 186(10):2160-2175.e17. Singh I, Seth A, Billesbølle CB, Braz J, Rodriguiz RM, Roy K, Bekele B, Craik V, Huang XP, Boytsov D, Pogorelov VM, Lak P, O'Donnell H, Sandtner W, Irwin JJ, Roth BL, Basbaum AI, Wetsel WC, Manglik A, Shoichet BK, Rudnick G. PMID: 37137306; PMCID: PMC10306110.
      View in: PubMed   Mentions: 8     Fields:    Translation:AnimalsCells
    17. Synthetic Ionizable Colloidal Drug Aggregates Enable Endosomal Disruption. Adv Sci (Weinh). 2023 05; 10(13):e2300311. Donders EN, Slaughter KV, Dank C, Ganesh AN, Shoichet BK, Lautens M, Shoichet MS. PMID: 36905240; PMCID: PMC10161099.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    18. Modeling the expansion of virtual screening libraries. Nat Chem Biol. 2023 06; 19(6):712-718. Lyu J, Irwin JJ, Shoichet BK. PMID: 36646956; PMCID: PMC10243288.
      View in: PubMed   Mentions: 12     Fields:    
    19. Fluorogenic reporter enables identification of compounds that inhibit SARS-CoV-2. Nat Microbiol. 2023 01; 8(1):121-134. Yang J, Xiao Y, Lidsky PV, Wu CT, Bonser LR, Peng S, Garcia-Knight MA, Tassetto M, Chung CI, Li X, Nakayama T, Lee IT, Nayak JV, Ghias K, Hargett KL, Shoichet BK, Erle DJ, Jackson PK, Andino R, Shu X. PMID: 36604514; PMCID: PMC9831272.
      View in: PubMed   Mentions: 5     Fields:    Translation:HumansAnimalsCells
    20. Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc Natl Acad Sci U S A. 2023 01 10; 120(2):e2212931120. Gahbauer S, Correy GJ, Schuller M, Ferla MP, Doruk YU, Rachman M, Wu T, Diolaiti M, Wang S, Neitz RJ, Fearon D, Radchenko DS, Moroz YS, Irwin JJ, Renslo AR, Taylor JC, Gestwicki JE, von Delft F, Ashworth A, Ahel I, Shoichet BK, Fraser JS. PMID: 36598939; PMCID: PMC9926234.
      View in: PubMed   Mentions: 17     Fields:    Translation:HumansCellsPHPublic Health
    21. Ligand recognition and allosteric modulation of the human MRGPRX1 receptor. Nat Chem Biol. 2023 04; 19(4):416-422. Liu Y, Cao C, Huang XP, Gumpper RH, Rachman MM, Shih SL, Krumm BE, Zhang S, Shoichet BK, Fay JF, Roth BL. PMID: 36302898.
      View in: PubMed   Mentions: 12     Fields:    Translation:HumansCells
    22. Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor. Science. 2022 09 30; 377(6614):eabn7065. Fink EA, Xu J, Hübner H, Braz JM, Seemann P, Avet C, Craik V, Weikert D, Schmidt MF, Webb CM, Tolmachova NA, Moroz YS, Huang XP, Kalyanaraman C, Gahbauer S, Chen G, Liu Z, Jacobson MP, Irwin JJ, Bouvier M, Du Y, Shoichet BK, Basbaum AI, Gmeiner P. PMID: 36173843; PMCID: PMC10360211.
      View in: PubMed   Mentions: 23     Fields:    Translation:HumansAnimals
    23. Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity. Nature. 2022 10; 610(7932):582-591. Kaplan AL, Confair DN, Kim K, Barros-Álvarez X, Rodriguiz RM, Yang Y, Kweon OS, Che T, McCorvy JD, Kamber DN, Phelan JP, Martins LC, Pogorelov VM, DiBerto JF, Slocum ST, Huang XP, Kumar JM, Robertson MJ, Panova O, Seven AB, Wetsel AQ, Wetsel WC, Irwin JJ, Skiniotis G, Shoichet BK, Roth BL, Ellman JA. PMID: 36171289; PMCID: PMC9996387.
      View in: PubMed   Mentions: 47     Fields:    Translation:Animals
    24. Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2. bioRxiv. 2022 Jul 28. Gahbauer S, Correy GJ, Schuller M, Ferla MP, Doruk YU, Rachman M, Wu T, Diolaiti M, Wang S, Neitz RJ, Fearon D, Radchenko D, Moroz Y, Irwin JJ, Renslo AR, Taylor JC, Gestwicki JE, von Delft F, Ashworth A, Ahel I, Shoichet BK, Fraser JS. PMID: 35794891; PMCID: PMC9258288.
      View in: PubMed   Mentions:
    25. Inactive and active state structures template selective tools for the human 5-HT5A receptor. Nat Struct Mol Biol. 2022 07; 29(7):677-687. Zhang S, Chen H, Zhang C, Yang Y, Popov P, Liu J, Krumm BE, Cao C, Kim K, Xiong Y, Katritch V, Shoichet BK, Jin J, Fay JF, Roth BL. PMID: 35835867; PMCID: PMC9299520.
      View in: PubMed   Mentions: 8     Fields:    Translation:Humans
    26. Drug building blocks and libraries at risk in Ukraine. Science. 2022 05 27; 376(6596):929. Kondratov IS, Moroz YS, Irwin JJ, Shoichet BK. PMID: 35617394.
      View in: PubMed   Mentions:    Fields:    
    27. Structure-Based Design of a Chemical Probe Set for the 5-HT5A Serotonin Receptor. J Med Chem. 2022 03 10; 65(5):4201-4217. Levit Kaplan A, Strachan RT, Braz JM, Craik V, Slocum S, Mangano T, Amabo V, O'Donnell H, Lak P, Basbaum AI, Roth BL, Shoichet BK. PMID: 35195401; PMCID: PMC9116900.
      View in: PubMed   Mentions: 7     Fields:    Translation:Humans
    28. Identification of a conserved drug binding pocket in TMEM16 proteins. Res Sq. 2022 Feb 10. Cheng Y, Feng S, Puchades C, Ko J, Figueroa E, Chen Y, Wu H, Gu S, Han T, Li J, Ho B, Shoichet B, Jan YN, Jan L. PMID: 35169791; PMCID: PMC8845511.
      View in: PubMed   Mentions:
    29. Publisher Correction: A practical guide to large-scale docking. Nat Protoc. 2022 Jan; 17(1):177. Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. PMID: 34887579.
      View in: PubMed   Mentions: 1     Fields:    
    30. Structures of the σ2 receptor enable docking for bioactive ligand discovery. Nature. 2021 Dec; 600(7890):759-764. Alon A, Lyu J, Braz JM, Tummino TA, Craik V, O'Meara MJ, Webb CM, Radchenko DS, Moroz YS, Huang XP, Liu Y, Roth BL, Irwin JJ, Basbaum AI, Shoichet BK, Kruse AC. PMID: 34880501; PMCID: PMC8867396.
      View in: PubMed   Mentions: 49     Fields:    Translation:Animals
    31. Colloidal Aggregators in Biochemical SARS-CoV-2 Repurposing Screens. J Med Chem. 2021 12 09; 64(23):17530-17539. O'Donnell HR, Tummino TA, Bardine C, Craik CS, Shoichet BK. PMID: 34812616; PMCID: PMC8665103.
      View in: PubMed   Mentions: 12     Fields:    
    32. Structure, function and pharmacology of human itch GPCRs. Nature. 2021 12; 600(7887):170-175. Cao C, Kang HJ, Singh I, Chen H, Zhang C, Ye W, Hayes BW, Liu J, Gumpper RH, Bender BJ, Slocum ST, Krumm BE, Lansu K, McCorvy JD, Kroeze WK, English JG, DiBerto JF, Olsen RHJ, Huang XP, Zhang S, Liu Y, Kim K, Karpiak J, Jan LY, Abraham SN, Jin J, Shoichet BK, Fay JF, Roth BL. PMID: 34789874; PMCID: PMC9150435.
      View in: PubMed   Mentions: 53     Fields:    Translation:Humans
    33. Efficient Exploration of Chemical Space with Docking and Deep Learning. J Chem Theory Comput. 2021 Nov 09; 17(11):7106-7119. Yang Y, Yao K, Repasky MP, Leswing K, Abel R, Shoichet BK, Jerome SV. PMID: 34592101.
      View in: PubMed   Mentions: 31     Fields:    
    34. A practical guide to large-scale docking. Nat Protoc. 2021 10; 16(10):4799-4832. Bender BJ, Gahbauer S, Luttens A, Lyu J, Webb CM, Stein RM, Fink EA, Balius TE, Carlsson J, Irwin JJ, Shoichet BK. PMID: 34561691; PMCID: PMC8522653.
      View in: PubMed   Mentions: 100     Fields:    
    35. Energy penalties enhance flexible receptor docking in a model cavity. Proc Natl Acad Sci U S A. 2021 09 07; 118(36). Kamenik AS, Singh I, Lak P, Balius TE, Liedl KR, Shoichet BK. PMID: 34475217; PMCID: PMC8433570.
      View in: PubMed   Mentions: 8     Fields:    Translation:Cells
    36. Ligand Strain Energy in Large Library Docking. J Chem Inf Model. 2021 09 27; 61(9):4331-4341. Gu S, Smith MS, Yang Y, Irwin JJ, Shoichet BK. PMID: 34467754; PMCID: PMC8501943.
      View in: PubMed   Mentions: 20     Fields:    Translation:Cells
    37. Colloidal aggregators in biochemical SARS-CoV-2 repurposing screens. bioRxiv. 2021 Aug 31. Oâ Donnell HR, Tummino TA, Bardine C, Craik CS, Shoichet BK. PMID: 34494023; PMCID: PMC8423219.
      View in: PubMed   Mentions:
    38. Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2. Science. 2021 07 30; 373(6554):541-547. Tummino TA, Rezelj VV, Fischer B, Fischer A, O'Meara MJ, Monel B, Vallet T, White KM, Zhang Z, Alon A, Schadt H, O'Donnell HR, Lyu J, Rosales R, McGovern BL, Rathnasinghe R, Jangra S, Schotsaert M, Galarneau JR, Krogan NJ, Urban L, Shokat KM, Kruse AC, García-Sastre A, Schwartz O, Moretti F, Vignuzzi M, Pognan F, Shoichet BK. PMID: 34326236; PMCID: PMC8501941.
      View in: PubMed   Mentions: 98     Fields:    Translation:HumansAnimalsCells
    39. Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv. 2021 04; 7(16). Schuller M, Correy GJ, Gahbauer S, Fearon D, Wu T, Díaz RE, Young ID, Carvalho Martins L, Smith DH, Schulze-Gahmen U, Owens TW, Deshpande I, Merz GE, Thwin AC, Biel JT, Peters JK, Moritz M, Herrera N, Kratochvil HT, QCRG Structural Biology Consortium, Aimon A, Bennett JM, Brandao Neto J, Cohen AE, Dias A, Douangamath A, Dunnett L, Fedorov O, Ferla MP, Fuchs MR, Gorrie-Stone TJ, Holton JM, Johnson MG, Krojer T, Meigs G, Powell AJ, Rack JGM, Rangel VL, Russi S, Skyner RE, Smith CA, Soares AS, Wierman JL, Zhu K, O'Brien P, Jura N, Ashworth A, Irwin JJ, Thompson MC, Gestwicki JE, von Delft F, Shoichet BK, Fraser JS, Ahel I. PMID: 33853786; PMCID: PMC8046379.
      View in: PubMed   Mentions: 62     Fields:    Translation:HumansCells
    40. A Crowding Barrier to Protein Inhibition in Colloidal Aggregates. J Med Chem. 2021 04 08; 64(7):4109-4116. Lak P, O'Donnell H, Du X, Jacobson MP, Shoichet BK. PMID: 33761256; PMCID: PMC8035302.
      View in: PubMed   Mentions: 4     Fields:    Translation:Cells
    41. Phospholipidosis is a shared mechanism underlying the in vitro antiviral activity of many repurposed drugs against SARS-CoV-2. bioRxiv. 2021 Mar 24. Tummino TA, Rezelj VV, Fischer B, Fischer A, O'Meara MJ, Monel B, Vallet T, Zhang Z, Alon A, O'Donnell HR, Lyu J, Schadt H, White KM, Krogan NJ, Urban L, Shokat KM, Kruse AC, García-Sastre A, Schwartz O, Moretti F, Vignuzzi M, Pognan F, Shoichet BK. PMID: 33791693; PMCID: PMC8010720.
      View in: PubMed   Mentions:
    42. Property-Unmatched Decoys in Docking Benchmarks. J Chem Inf Model. 2021 02 22; 61(2):699-714. Stein RM, Yang Y, Balius TE, O'Meara MJ, Lyu J, Young J, Tang K, Shoichet BK, Irwin JJ. PMID: 33494610; PMCID: PMC7913603.
      View in: PubMed   Mentions: 28     Fields:    Translation:Cells
    43. Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking. bioRxiv. 2020 Nov 24. Schuller M, Correy GJ, Gahbauer S, Fearon D, Wu T, Díaz RE, Young ID, Martins LC, Smith DH, Schulze-Gahmen U, Owens TW, Deshpande I, Merz GE, Thwin AC, Biel JT, Peters JK, Moritz M, Herrera N, Kratochvil HT, QCRG Structural Biology Consortium, Aimon A, Bennett JM, Neto JB, Cohen AE, Dias A, Douangamath A, Dunnett L, Fedorov O, Ferla MP, Fuchs M, Gorrie-Stone TJ, Holton JM, Johnson MG, Krojer T, Meigs G, Powell AJ, Johannes Gregor Matthias Rack, Rangel VL, Russi S, Skyner RE, Smith CA, Soares AS, Wierman JL, Zhu K, Jura N, Ashworth A, Irwin J, Thompson MC, Gestwicki JE, von Delft F, Shoichet BK, Fraser JS, Ahel I. PMID: 33269349; PMCID: PMC7709169.
      View in: PubMed   Mentions:
    44. Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms. Science. 2020 12 04; 370(6521). Gordon DE, Hiatt J, Bouhaddou M, Rezelj VV, Ulferts S, Braberg H, Jureka AS, Obernier K, Guo JZ, Batra J, Kaake RM, Weckstein AR, Owens TW, Gupta M, Pourmal S, Titus EW, Cakir M, Soucheray M, McGregor M, Cakir Z, Jang G, O'Meara MJ, Tummino TA, Zhang Z, Foussard H, Rojc A, Zhou Y, Kuchenov D, Hüttenhain R, Xu J, Eckhardt M, Swaney DL, Fabius JM, Ummadi M, Tutuncuoglu B, Rathore U, Modak M, Haas P, Haas KM, Naing ZZC, Pulido EH, Shi Y, Barrio-Hernandez I, Memon D, Petsalaki E, Dunham A, Marrero MC, Burke D, Koh C, Vallet T, Silvas JA, Azumaya CM, Billesbølle C, Brilot AF, Campbell MG, Diallo A, Dickinson MS, Diwanji D, Herrera N, Hoppe N, Kratochvil HT, Liu Y, Merz GE, Moritz M, Nguyen HC, Nowotny C, Puchades C, Rizo AN, Schulze-Gahmen U, Smith AM, Sun M, Young ID, Zhao J, Asarnow D, Biel J, Bowen A, Braxton JR, Chen J, Chio CM, Chio US, Deshpande I, Doan L, Faust B, Flores S, Jin M, Kim K, Lam VL, Li F, Li J, Li YL, Li Y, Liu X, Lo M, Lopez KE, Melo AA, Moss FR, Nguyen P, Paulino J, Pawar KI, Peters JK, Pospiech TH, Safari M, Sangwan S, Schaefer K, Thomas PV, Thwin AC, Trenker R, Tse E, Tsui TKM, Wang F, Whitis N, Yu Z, Zhang K, Zhang Y, Zhou F, Saltzberg D, QCRG Structural Biology Consortium, Hodder AJ, Shun-Shion AS, Williams DM, White KM, Rosales R, Kehrer T, Miorin L, Moreno E, Patel AH, Rihn S, Khalid MM, Vallejo-Gracia A, Fozouni P, Simoneau CR, Roth TL, Wu D, Karim MA, Ghoussaini M, Dunham I, Berardi F, Weigang S, Chazal M, Park J, Logue J, McGrath M, Weston S, Haupt R, Hastie CJ, Elliott M, Brown F, Burness KA, Reid E, Dorward M, Johnson C, Wilkinson SG, Geyer A, Giesel DM, Baillie C, Raggett S, Leech H, Toth R, Goodman N, Keough KC, Lind AL, Zoonomia Consortium, Klesh RJ, Hemphill KR, Carlson-Stevermer J, Oki J, Holden K, Maures T, Pollard KS, Sali A, Agard DA, Cheng Y, Fraser JS, Frost A, Jura N, Kortemme T, Manglik A, Southworth DR, Stroud RM, Alessi DR, Davies P, Frieman MB, Ideker T, Abate C, Jouvenet N, Kochs G, Shoichet B, et al. PMID: 33060197; PMCID: PMC7808408.
      View in: PubMed   Mentions: 338     Fields:    Translation:HumansCells
    45. Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor. Cell. 2020 09 17; 182(6):1574-1588.e19. Kim K, Che T, Panova O, DiBerto JF, Lyu J, Krumm BE, Wacker D, Robertson MJ, Seven AB, Nichols DE, Shoichet BK, Skiniotis G, Roth BL. PMID: 32946782; PMCID: PMC7593816.
      View in: PubMed   Mentions: 139     Fields:    Translation:HumansAnimalsCells
    46. Differential Roles of Extracellular Histidine Residues of GPR68 for Proton-Sensing and Allosteric Modulation by Divalent Metal Ions. Biochemistry. 2020 09 29; 59(38):3594-3614. Huang XP, Kenakin TP, Gu S, Shoichet BK, Roth BL. PMID: 32865988; PMCID: PMC7872588.
      View in: PubMed   Mentions: 5     Fields:    Translation:HumansCells
    47. The activities of drug inactive ingredients on biological targets. Science. 2020 07 24; 369(6502):403-413. Pottel J, Armstrong D, Zou L, Fekete A, Huang XP, Torosyan H, Bednarczyk D, Whitebread S, Bhhatarai B, Liang G, Jin H, Ghaemi SN, Slocum S, Lukacs KV, Irwin JJ, Berg EL, Giacomini KM, Roth BL, Shoichet BK, Urban L. PMID: 32703874; PMCID: PMC7960226.
      View in: PubMed   Mentions: 23     Fields:    Translation:HumansAnimals
    48. The Global Phosphorylation Landscape of SARS-CoV-2 Infection. Cell. 2020 08 06; 182(3):685-712.e19. Bouhaddou M, Memon D, Meyer B, White KM, Rezelj VV, Correa Marrero M, Polacco BJ, Melnyk JE, Ulferts S, Kaake RM, Batra J, Richards AL, Stevenson E, Gordon DE, Rojc A, Obernier K, Fabius JM, Soucheray M, Miorin L, Moreno E, Koh C, Tran QD, Hardy A, Robinot R, Vallet T, Nilsson-Payant BE, Hernandez-Armenta C, Dunham A, Weigang S, Knerr J, Modak M, Quintero D, Zhou Y, Dugourd A, Valdeolivas A, Patil T, Li Q, Hüttenhain R, Cakir M, Muralidharan M, Kim M, Jang G, Tutuncuoglu B, Hiatt J, Guo JZ, Xu J, Bouhaddou S, Mathy CJP, Gaulton A, Manners EJ, Félix E, Shi Y, Goff M, Lim JK, McBride T, O'Neal MC, Cai Y, Chang JCJ, Broadhurst DJ, Klippsten S, De Wit E, Leach AR, Kortemme T, Shoichet B, Ott M, Saez-Rodriguez J, tenOever BR, Mullins RD, Fischer ER, Kochs G, Grosse R, García-Sastre A, Vignuzzi M, Johnson JR, Shokat KM, Swaney DL, Beltrao P, Krogan NJ. PMID: 32645325; PMCID: PMC7321036.
      View in: PubMed   Mentions: 480     Fields:    Translation:HumansAnimalsCellsPHPublic Health
    49. Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 07 07; 117(27):16009-16018. Zou L, Spanogiannopoulos P, Pieper LM, Chien HC, Cai W, Khuri N, Pottel J, Vora B, Ni Z, Tsakalozou E, Zhang W, Shoichet BK, Giacomini KM, Turnbaugh PJ. PMID: 32571913; PMCID: PMC7355017.
      View in: PubMed   Mentions: 20     Fields:    Translation:HumansAnimalsCells
    50. An allosteric modulator binds to a conformational hub in the β2 adrenergic receptor. Nat Chem Biol. 2020 07; 16(7):749-755. Liu X, Kaindl J, Korczynska M, Stößel A, Dengler D, Stanek M, Hübner H, Clark MJ, Mahoney J, Matt RA, Xu X, Hirata K, Shoichet BK, Sunahara RK, Kobilka BK, Gmeiner P. PMID: 32483378; PMCID: PMC7816728.
      View in: PubMed   Mentions: 30     Fields:    Translation:HumansCells
    51. A SARS-CoV-2 protein interaction map reveals targets for drug repurposing. Nature. 2020 07; 583(7816):459-468. Gordon DE, Jang GM, Bouhaddou M, Xu J, Obernier K, White KM, O'Meara MJ, Rezelj VV, Guo JZ, Swaney DL, Tummino TA, Hüttenhain R, Kaake RM, Richards AL, Tutuncuoglu B, Foussard H, Batra J, Haas K, Modak M, Kim M, Haas P, Polacco BJ, Braberg H, Fabius JM, Eckhardt M, Soucheray M, Bennett MJ, Cakir M, McGregor MJ, Li Q, Meyer B, Roesch F, Vallet T, Mac Kain A, Miorin L, Moreno E, Naing ZZC, Zhou Y, Peng S, Shi Y, Zhang Z, Shen W, Kirby IT, Melnyk JE, Chorba JS, Lou K, Dai SA, Barrio-Hernandez I, Memon D, Hernandez-Armenta C, Lyu J, Mathy CJP, Perica T, Pilla KB, Ganesan SJ, Saltzberg DJ, Rakesh R, Liu X, Rosenthal SB, Calviello L, Venkataramanan S, Liboy-Lugo J, Lin Y, Huang XP, Liu Y, Wankowicz SA, Bohn M, Safari M, Ugur FS, Koh C, Savar NS, Tran QD, Shengjuler D, Fletcher SJ, O'Neal MC, Cai Y, Chang JCJ, Broadhurst DJ, Klippsten S, Sharp PP, Wenzell NA, Kuzuoglu-Ozturk D, Wang HY, Trenker R, Young JM, Cavero DA, Hiatt J, Roth TL, Rathore U, Subramanian A, Noack J, Hubert M, Stroud RM, Frankel AD, Rosenberg OS, Verba KA, Agard DA, Ott M, Emerman M, Jura N, von Zastrow M, Verdin E, Ashworth A, Schwartz O, d'Enfert C, Mukherjee S, Jacobson M, Malik HS, Fujimori DG, Ideker T, Craik CS, Floor SN, Fraser JS, Gross JD, Sali A, Roth BL, Ruggero D, Taunton J, Kortemme T, Beltrao P, Vignuzzi M, García-Sastre A, Shokat KM, Shoichet BK, Krogan NJ. PMID: 32353859; PMCID: PMC7431030.
      View in: PubMed   Mentions: 2284     Fields:    Translation:HumansAnimalsCellsPHPublic Health
    52. A SARS-CoV-2-Human Protein-Protein Interaction Map Reveals Drug Targets and Potential Drug-Repurposing. bioRxiv. 2020 Mar 22. Gordon DE, Jang GM, Bouhaddou M, Xu J, Obernier K, O'Meara MJ, Guo JZ, Swaney DL, Tummino TA, Hüttenhain R, Kaake RM, Richards AL, Tutuncuoglu B, Foussard H, Batra J, Haas K, Modak M, Kim M, Haas P, Polacco BJ, Braberg H, Fabius JM, Eckhardt M, Soucheray M, Bennett MJ, Cakir M, McGregor MJ, Li Q, Naing ZZC, Zhou Y, Peng S, Kirby IT, Melnyk JE, Chorba JS, Lou K, Dai SA, Shen W, Shi Y, Zhang Z, Barrio-Hernandez I, Memon D, Hernandez-Armenta C, Mathy CJP, Perica T, Pilla KB, Ganesan SJ, Saltzberg DJ, Ramachandran R, Liu X, Rosenthal SB, Calviello L, Venkataramanan S, Lin Y, Wankowicz SA, Bohn M, Trenker R, Young JM, Cavero D, Hiatt J, Roth T, Rathore U, Subramanian A, Noack J, Hubert M, Roesch F, Vallet T, Meyer B, White KM, Miorin L, Agard D, Emerman M, Ruggero D, García-Sastre A, Jura N, von Zastrow M, Taunton J, Schwartz O, Vignuzzi M, d'Enfert C, Mukherjee S, Jacobson M, Malik HS, Fujimori DG, Ideker T, Craik CS, Floor S, Fraser JS, Gross J, Sali A, Kortemme T, Beltrao P, Shokat K, Shoichet BK, Krogan NJ. PMID: 32511329; PMCID: PMC7239059.
      View in: PubMed   Mentions: 28  
    53. Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking. J Am Chem Soc. 2020 03 18; 142(11):4960-4964. Wan X, Yang T, Cuesta A, Pang X, Balius TE, Irwin JJ, Shoichet BK, Taunton J. PMID: 32105459; PMCID: PMC7136196.
      View in: PubMed   Mentions: 28     Fields:    Translation:HumansCells
    54. Interactions of Oral Molecular Excipients with Breast Cancer Resistance Protein, BCRP. Mol Pharm. 2020 03 02; 17(3):748-756. Zou L, Pottel J, Khuri N, Ngo HX, Ni Z, Tsakalozou E, Warren MS, Huang Y, Shoichet BK, Giacomini KM. PMID: 31990564; PMCID: PMC8177814.
      View in: PubMed   Mentions: 10     Fields:    Translation:HumansCells
    55. Virtual discovery of melatonin receptor ligands to modulate circadian rhythms. Nature. 2020 03; 579(7800):609-614. Stein RM, Kang HJ, McCorvy JD, Glatfelter GC, Jones AJ, Che T, Slocum S, Huang XP, Savych O, Moroz YS, Stauch B, Johansson LC, Cherezov V, Kenakin T, Irwin JJ, Shoichet BK, Roth BL, Dubocovich ML. PMID: 32040955; PMCID: PMC7134359.
      View in: PubMed   Mentions: 107     Fields:    Translation:HumansAnimals
    56. GAIN domain-mediated cleavage is required for activation of G protein-coupled receptor 56 (GPR56) by its natural ligands and a small-molecule agonist. J Biol Chem. 2019 12 13; 294(50):19246-19254. Zhu B, Luo R, Jin P, Li T, Oak HC, Giera S, Monk KR, Lak P, Shoichet BK, Piao X. PMID: 31628191; PMCID: PMC6916468.
      View in: PubMed   Mentions: 22     Fields:    Translation:HumansAnimalsCells
    57. Protein Stability Effects in Aggregate-Based Enzyme Inhibition. J Med Chem. 2019 11 14; 62(21):9593-9599. Torosyan H, Shoichet BK. PMID: 31589047; PMCID: PMC7156261.
      View in: PubMed   Mentions: 10     Fields:    
    58. Triggered Release Enhances the Cytotoxicity of Stable Colloidal Drug Aggregates. ACS Chem Biol. 2019 07 19; 14(7):1507-1514. Donders EN, Ganesh AN, Torosyan H, Lak P, Shoichet BK, Shoichet MS. PMID: 31243955; PMCID: PMC7136197.
      View in: PubMed   Mentions: 3     Fields:    Translation:HumansCells
    59. Structural identification of a hotspot on CFTR for potentiation. Science. 2019 06 21; 364(6446):1184-1188. Liu F, Zhang Z, Levit A, Levring J, Touhara KK, Shoichet BK, Chen J. PMID: 31221859; PMCID: PMC7184887.
      View in: PubMed   Mentions: 106     Fields:    Translation:HumansCells
    60. Colloidal Drug Aggregate Stability in High Serum Conditions and Pharmacokinetic Consequence. ACS Chem Biol. 2019 04 19; 14(4):751-757. Ganesh AN, Aman A, Logie J, Barthel BL, Cogan P, Al-Awar R, Koch TH, Shoichet BK, Shoichet MS. PMID: 30840432; PMCID: PMC6474797.
      View in: PubMed   Mentions: 15     Fields:    Translation:HumansAnimalsCells
    61. Ultra-large library docking for discovering new chemotypes. Nature. 2019 02; 566(7743):224-229. Lyu J, Wang S, Balius TE, Singh I, Levit A, Moroz YS, O'Meara MJ, Che T, Algaa E, Tolmachova K, Tolmachev AA, Shoichet BK, Roth BL, Irwin JJ. PMID: 30728502; PMCID: PMC6383769.
      View in: PubMed   Mentions: 255     Fields:    Translation:Humans
    62. Far away from the lamppost. PLoS Biol. 2018 12; 16(12):e3000067. Oprea TI, Jan L, Johnson GL, Roth BL, Ma'ayan A, Schürer S, Shoichet BK, Sklar LA, McManus MT. PMID: 30532236; PMCID: PMC6289406.
      View in: PubMed   Mentions: 4     Fields:    
    63. Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists. Proc Natl Acad Sci U S A. 2018 11 20; 115(47):12046-12050. Liu H, Hofmann J, Fish I, Schaake B, Eitel K, Bartuschat A, Kaindl J, Rampp H, Banerjee A, Hübner H, Clark MJ, Vincent SG, Fisher JT, Heinrich MR, Hirata K, Liu X, Sunahara RK, Shoichet BK, Kobilka BK, Gmeiner P. PMID: 30404914; PMCID: PMC6255194.
      View in: PubMed   Mentions: 32     Fields:    Translation:HumansCells
    64. The Recognition of Unrelated Ligands by Identical Proteins. ACS Chem Biol. 2018 09 21; 13(9):2522-2533. Pottel J, Levit A, Korczynska M, Fischer M, Shoichet BK. PMID: 30095890; PMCID: PMC6499068.
      View in: PubMed   Mentions: 2     Fields:    Translation:HumansCells
    65. The Psychiatric Cell Map Initiative: A Convergent Systems Biological Approach to Illuminating Key Molecular Pathways in Neuropsychiatric Disorders. Cell. 2018 07 26; 174(3):505-520. Willsey AJ, Morris MT, Wang S, Willsey HR, Sun N, Teerikorpi N, Baum TB, Cagney G, Bender KJ, Desai TA, Srivastava D, Davis GW, Doudna J, Chang E, Sohal V, Lowenstein DH, Li H, Agard D, Keiser MJ, Shoichet B, von Zastrow M, Mucke L, Finkbeiner S, Gan L, Sestan N, Ward ME, Huttenhain R, Nowakowski TJ, Bellen HJ, Frank LM, Khokha MK, Lifton RP, Kampmann M, Ideker T, State MW, Krogan NJ. PMID: 30053424; PMCID: PMC6247911.
      View in: PubMed   Mentions: 60     Fields:    Translation:Humans
    66. Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets. J Med Chem. 2018 Aug 09; 61(15):6830-6845. Weiss DR, Karpiak J, Huang XP, Sassano MF, Lyu J, Roth BL, Shoichet BK. PMID: 29990431; PMCID: PMC6105036.
      View in: PubMed   Mentions: 12     Fields:    Translation:Cells
    67. Colloidal aggregation: from screening nuisance to formulation nuance. Nano Today. 2018 Apr; 19:188-200. Ganesh AN, Donders EN, Shoichet BK, Shoichet MS. PMID: 30250495; PMCID: PMC6150470.
      View in: PubMed   Mentions: 29  
    68. Structure-based discovery of selective positive allosteric modulators of antagonists for the M2 muscarinic acetylcholine receptor. Proc Natl Acad Sci U S A. 2018 03 06; 115(10):E2419-E2428. Korczynska M, Clark MJ, Valant C, Xu J, Moo EV, Albold S, Weiss DR, Torosyan H, Huang W, Kruse AC, Lyda BR, May LT, Baltos JA, Sexton PM, Kobilka BK, Christopoulos A, Shoichet BK, Sunahara RK. PMID: 29453275; PMCID: PMC5877965.
      View in: PubMed   Mentions: 31     Fields:    Translation:HumansAnimalsCells
    69. Prediction of enzymatic pathways by integrative pathway mapping. Elife. 2018 01 29; 7. Calhoun S, Korczynska M, Wichelecki DJ, San Francisco B, Zhao S, Rodionov DA, Vetting MW, Al-Obaidi NF, Lin H, O'Meara MJ, Scott DA, Morris JH, Russel D, Almo SC, Osterman AL, Gerlt JA, Jacobson MP, Shoichet BK, Sali A. PMID: 29377793; PMCID: PMC5788505.
      View in: PubMed   Mentions: 13     Fields:    Translation:Cells
    70. Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone. Nature. 2018 03 08; 555(7695):269-273. Wang S, Che T, Levit A, Shoichet BK, Wacker D, Roth BL. PMID: 29466326; PMCID: PMC5843546.
      View in: PubMed   Mentions: 152     Fields:    Translation:HumansCells
    71. Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs. Nat Chem Biol. 2018 02; 14(2):126-134. McCorvy JD, Butler KV, Kelly B, Rechsteiner K, Karpiak J, Betz RM, Kormos BL, Shoichet BK, Dror RO, Jin J, Roth BL. PMID: 29227473; PMCID: PMC5771956.
      View in: PubMed   Mentions: 81     Fields:    Translation:HumansCells
    72. Structure-Based Design and Discovery of New M2 Receptor Agonists. J Med Chem. 2017 11 22; 60(22):9239-9250. Fish I, Stößel A, Eitel K, Valant C, Albold S, Huebner H, Möller D, Clark MJ, Sunahara RK, Christopoulos A, Shoichet BK, Gmeiner P. PMID: 29094937; PMCID: PMC5836741.
      View in: PubMed   Mentions: 6     Fields:    Translation:HumansAnimalsCells
    73. D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science. 2017 10 20; 358(6361):381-386. Wang S, Wacker D, Levit A, Che T, Betz RM, McCorvy JD, Venkatakrishnan AJ, Huang XP, Dror RO, Shoichet BK, Roth BL. PMID: 29051383; PMCID: PMC5856174.
      View in: PubMed   Mentions: 91     Fields:    Translation:HumansCells
    74. Discovery of new GPCR ligands to illuminate new biology. Nat Chem Biol. 2017 Nov; 13(11):1143-1151. Roth BL, Irwin JJ, Shoichet BK. PMID: 29045379; PMCID: PMC5835362.
      View in: PubMed   Mentions: 43     Fields:    Translation:HumansCells
    75. Reverse translation of adverse event reports paves the way for de-risking preclinical off-targets. Elife. 2017 08 08; 6. Maciejewski M, Lounkine E, Whitebread S, Farmer P, DuMouchel W, Shoichet BK, Urban L. PMID: 28786378; PMCID: PMC5548487.
      View in: PubMed   Mentions: 23     Fields:    Translation:Humans
    76. Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc Natl Acad Sci U S A. 2017 08 15; 114(33):E6839-E6846. Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK. PMID: 28760952; PMCID: PMC5565424.
      View in: PubMed   Mentions: 31     Fields:    Translation:Cells
    77. Leveraging Colloidal Aggregation for Drug-Rich Nanoparticle Formulations. Mol Pharm. 2017 06 05; 14(6):1852-1860. Ganesh AN, Logie J, McLaughlin CK, Barthel BL, Koch TH, Shoichet BK, Shoichet MS. PMID: 28502177; PMCID: PMC5548416.
      View in: PubMed   Mentions: 7     Fields:    
    78. A New Spin on Antibody-Drug Conjugates: Trastuzumab-Fulvestrant Colloidal Drug Aggregates Target HER2-Positive Cells. ACS Appl Mater Interfaces. 2017 Apr 12; 9(14):12195-12202. Ganesh AN, McLaughlin CK, Duan D, Shoichet BK, Shoichet MS. PMID: 28319364; PMCID: PMC5486225.
      View in: PubMed   Mentions: 12     Fields:    Translation:HumansCells
    79. In silico design of novel probes for the atypical opioid receptor MRGPRX2. Nat Chem Biol. 2017 05; 13(5):529-536. Lansu K, Karpiak J, Liu J, Huang XP, McCorvy JD, Kroeze WK, Che T, Nagase H, Carroll FI, Jin J, Shoichet BK, Roth BL. PMID: 28288109; PMCID: PMC5391270.
      View in: PubMed   Mentions: 95     Fields:    Translation:HumansCells
    80. Crystal Structure of an LSD-Bound Human Serotonin Receptor. Cell. 2017 01 26; 168(3):377-389.e12. Wacker D, Wang S, McCorvy JD, Betz RM, Venkatakrishnan AJ, Levit A, Lansu K, Schools ZL, Che T, Nichols DE, Shoichet BK, Dror RO, Roth BL. PMID: 28129538; PMCID: PMC5289311.
      View in: PubMed   Mentions: 171     Fields:    Translation:HumansCells
    81. Internal Structure and Preferential Protein Binding of Colloidal Aggregates. ACS Chem Biol. 2017 01 20; 12(1):282-290. Duan D, Torosyan H, Elnatan D, McLaughlin CK, Logie J, Shoichet MS, Agard DA, Shoichet BK. PMID: 27983786; PMCID: PMC5491102.
      View in: PubMed   Mentions: 12     Fields:    Translation:Cells
    82. Design, Synthesis, and Biological Evaluation of Novel Tetrahydroprotoberberine Derivatives (THPBs) as Selective α1A-Adrenoceptor Antagonists. J Med Chem. 2016 Oct 27; 59(20):9489-9502. Guo D, Li J, Lin H, Zhou Y, Chen Y, Zhao F, Sun H, Zhang D, Li H, Shoichet BK, Shan L, Zhang W, Xie X, Jiang H, Liu H. PMID: 27709945.
      View in: PubMed   Mentions: 6     Fields:    Translation:HumansAnimalsCells
    83. A Molecular Basis for Innovation in Drug Excipients. Clin Pharmacol Ther. 2017 03; 101(3):320-323. Irwin JJ, Pottel J, Zou L, Wen H, Zuk S, Zhang X, Sterling T, Shoichet BK, Lionberger R, Giacomini KM. PMID: 27557422.
      View in: PubMed   Mentions: 5     Fields:    Translation:Humans
    84. Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics. J Am Chem Soc. 2016 09 21; 138(37):12021-4. Lee H, Fischer M, Shoichet BK, Liu SY. PMID: 27603116; PMCID: PMC5087281.
      View in: PubMed   Mentions: 21     Fields:    Translation:Cells
    85. Structure-based discovery of opioid analgesics with reduced side effects. Nature. 2016 09 08; 537(7619):185-190. Manglik A, Lin H, Aryal DK, McCorvy JD, Dengler D, Corder G, Levit A, Kling RC, Bernat V, Hübner H, Huang XP, Sassano MF, Giguère PM, Löber S, Scherrer G, Kobilka BK, Gmeiner P, Roth BL, Shoichet BK. PMID: 27533032; PMCID: PMC5161585.
      View in: PubMed   Mentions: 368     Fields:    Translation:HumansAnimalsCells
    86. Identification of Novel Smoothened Ligands Using Structure-Based Docking. PLoS One. 2016; 11(8):e0160365. Lacroix C, Fish I, Torosyan H, Parathaman P, Irwin JJ, Shoichet BK, Angers S. PMID: 27490099; PMCID: PMC4973902.
      View in: PubMed   Mentions: 4     Fields:    Translation:HumansAnimals
    87. Ligand Similarity Complements Sequence, Physical Interaction, and Co-Expression for Gene Function Prediction. PLoS One. 2016; 11(7):e0160098. O'Meara MJ, Ballouz S, Shoichet BK, Gillis J. PMID: 27467773; PMCID: PMC4965129.
      View in: PubMed   Mentions: 6     Fields:    
    88. Advances in Computational Medicinal Chemistry: A Reflection on the Evolution of the Field and Perspective Going Forward. J Med Chem. 2016 05 12; 59(9):4033-4. Shoichet BK, Walters WP, Jiang H, Bajorath J. PMID: 27054949.
      View in: PubMed   Mentions: 5     Fields:    Translation:HumansAnimals
    89. Docking Screens for Novel Ligands Conferring New Biology. J Med Chem. 2016 05 12; 59(9):4103-20. Irwin JJ, Shoichet BK. PMID: 26913380; PMCID: PMC4865415.
      View in: PubMed   Mentions: 100     Fields:    
    90. In Vitro and In Vivo Characterization of the Alkaloid Nuciferine. PLoS One. 2016; 11(3):e0150602. Farrell MS, McCorvy JD, Huang XP, Urban DJ, White KL, Giguere PM, Doak AK, Bernstein AI, Stout KA, Park SM, Rodriguiz RM, Gray BW, Hyatt WS, Norwood AP, Webster KA, Gannon BM, Miller GW, Porter JH, Shoichet BK, Fantegrossi WE, Wetsel WC, Roth BL. PMID: 26963248; PMCID: PMC4786259.
      View in: PubMed   Mentions: 7     Fields:    Translation:HumansAnimalsCells
    91. Stable Colloidal Drug Aggregates Catch and Release Active Enzymes. ACS Chem Biol. 2016 Apr 15; 11(4):992-1000. McLaughlin CK, Duan D, Ganesh AN, Torosyan H, Shoichet BK, Shoichet MS. PMID: 26741163; PMCID: PMC5082698.
      View in: PubMed   Mentions: 20     Fields:    
    92. Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors. J Med Chem. 2016 Feb 25; 59(4):1580-98. Korczynska M, Le DD, Younger N, Gregori-Puigjané E, Tumber A, Krojer T, Velupillai S, Gileadi C, Nowak RP, Iwasa E, Pollock SB, Ortiz Torres I, Oppermann U, Shoichet BK, Fujimori DG. PMID: 26699912; PMCID: PMC5080985.
      View in: PubMed   Mentions: 18     Fields:    Translation:Humans
    93. Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65. Nature. 2015 Nov 26; 527(7579):477-83. Huang XP, Karpiak J, Kroeze WK, Zhu H, Chen X, Moy SS, Saddoris KA, Nikolova VD, Farrell MS, Wang S, Mangano TJ, Deshpande DA, Jiang A, Penn RB, Jin J, Koller BH, Kenakin T, Shoichet BK, Roth BL. PMID: 26550826; PMCID: PMC4796946.
      View in: PubMed   Mentions: 125     Fields:    Translation:HumansAnimalsCells
    94. Corrigendum: The promise and peril of chemical probes. Nat Chem Biol. 2015 Nov; 11(11):887. Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O'Hagan RC, Overington JP, Owen DR, Rosenberg SH, Ross R, Roth B, Schapira M, Schreiber SL, Shoichet B, Sundström M, Superti-Furga G, Taunton J, Toledo-Sherman L, Walpole C, Walters MA, Willson TM, Workman P, Young RN, Zuercher WJ. PMID: 26485080.
      View in: PubMed   Mentions: 6     Fields:    
    95. The Recognition of Identical Ligands by Unrelated Proteins. ACS Chem Biol. 2015 Dec 18; 10(12):2772-84. Barelier S, Sterling T, O'Meara MJ, Shoichet BK. PMID: 26421501; PMCID: PMC4684825.
      View in: PubMed   Mentions: 28     Fields:    Translation:Cells
    96. Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking. J Med Chem. 2015 Oct 22; 58(20):8285-8291. Rettenmaier TJ, Fan H, Karpiak J, Doak A, Sali A, Shoichet BK, Wells JA. PMID: 26443011; PMCID: PMC5099076.
      View in: PubMed   Mentions: 8     Fields:    Translation:HumansCells
    97. Activity-Independent Discovery of Secondary Metabolites Using Chemical Elicitation and Cheminformatic Inference. ACS Chem Biol. 2015 Nov 20; 10(11):2616-23. Pimentel-Elardo SM, Sørensen D, Ho L, Ziko M, Bueler SA, Lu S, Tao J, Moser A, Lee R, Agard D, Fairn G, Rubinstein JL, Shoichet BK, Nodwell JR. PMID: 26352211; PMCID: PMC4658348.
      View in: PubMed   Mentions: 26     Fields:    Translation:Cells
    98. Prediction and validation of enzyme and transporter off-targets for metformin. J Pharmacokinet Pharmacodyn. 2015 Oct; 42(5):463-75. Yee SW, Lin L, Merski M, Keiser MJ, Gupta A, Zhang Y, Chien HC, Shoichet BK, Giacomini KM. PMID: 26335661; PMCID: PMC4656030.
      View in: PubMed   Mentions: 22     Fields:    Translation:HumansCells
    99. An Aggregation Advisor for Ligand Discovery. J Med Chem. 2015 Sep 10; 58(17):7076-87. Irwin JJ, Duan D, Torosyan H, Doak AK, Ziebart KT, Sterling T, Tumanian G, Shoichet BK. PMID: 26295373; PMCID: PMC4646424.
      View in: PubMed   Mentions: 152     Fields:    
    100. Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents. ACS Chem Biol. 2015 Oct 16; 10(10):2209-18. Kincaid VA, London N, Wangkanont K, Wesener DA, Marcus SA, Héroux A, Nedyalkova L, Talaat AM, Forest KT, Shoichet BK, Kiessling LL. PMID: 26214585; PMCID: PMC4669066.
      View in: PubMed   Mentions: 15     Fields:    Translation:Cells
    101. The promise and peril of chemical probes. Nat Chem Biol. 2015 Aug; 11(8):536-41. Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O'Hagan RC, Overington JP, Owen DR, Rosenberg SH, Roth B, Roth B, Ross R, Schapira M, Schreiber SL, Shoichet B, Sundström M, Superti-Furga G, Taunton J, Toledo-Sherman L, Walpole C, Walters MA, Willson TM, Workman P, Young RN, Zuercher WJ. PMID: 26196764; PMCID: PMC4706458.
      View in: PubMed   Mentions: 321     Fields:    Translation:Humans
    102. One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites. Chembiochem. 2015 Jul 27; 16(11):1560-4. Fischer M, Shoichet BK, Fraser JS. PMID: 26032594; PMCID: PMC4539595.
      View in: PubMed   Mentions: 40     Fields:    Translation:Cells
    103. Homologous ligands accommodated by discrete conformations of a buried cavity. Proc Natl Acad Sci U S A. 2015 Apr 21; 112(16):5039-44. Merski M, Fischer M, Balius TE, Eidam O, Shoichet BK. PMID: 25847998; PMCID: PMC4413287.
      View in: PubMed   Mentions: 24     Fields:    Translation:Cells
    104. Erratum: Covalent docking of large libraries for the discovery of chemical probes. Nat Chem Biol. 2015 Mar; 11(3):235. London N, Miller RM, Krishnan S, Uchida K, Irwin JJ, Eidam O, Gibold L, Cimermancic P, Bonnet R, Shoichet BK, Taunton J. PMID: 25689339.
      View in: PubMed   Mentions:    Fields:    
    105. Colloidal aggregation and the in vitro activity of traditional Chinese medicines. ACS Chem Biol. 2015 Apr 17; 10(4):978-88. Duan D, Doak AK, Nedyalkova L, Shoichet BK. PMID: 25606714; PMCID: PMC4646422.
      View in: PubMed   Mentions: 37     Fields:    
    106. Covalent docking predicts substrates for haloalkanoate dehalogenase superfamily phosphatases. Biochemistry. 2015 Jan 20; 54(2):528-37. London N, Farelli JD, Brown SD, Liu C, Huang H, Korczynska M, Al-Obaidi NF, Babbitt PC, Almo SC, Allen KN, Shoichet BK. PMID: 25513739; PMCID: PMC4303301.
      View in: PubMed   Mentions: 8     Fields:    Translation:HumansAnimals
    107. Covalent docking of large libraries for the discovery of chemical probes. Nat Chem Biol. 2014 Dec; 10(12):1066-72. London N, Miller RM, Krishnan S, Uchida K, Irwin JJ, Eidam O, Gibold L, Cimermancic P, Bonnet R, Shoichet BK, Taunton J. PMID: 25344815; PMCID: PMC4232467.
      View in: PubMed   Mentions: 94     Fields:    Translation:HumansAnimalsCells
    108. Actin is required for IFT regulation in Chlamydomonas reinhardtii. Curr Biol. 2014 Sep 08; 24(17):2025-32. Avasthi P, Onishi M, Karpiak J, Yamamoto R, Mackinder L, Jonikas MC, Sale WS, Shoichet B, Pringle JR, Marshall WF. PMID: 25155506; PMCID: PMC4160380.
      View in: PubMed   Mentions: 38     Fields:    Translation:AnimalsCells
    109. Functional annotation and structural characterization of a novel lactonase hydrolyzing D-xylono-1,4-lactone-5-phosphate and L-arabino-1,4-lactone-5-phosphate. Biochemistry. 2014 Jul 22; 53(28):4727-38. Korczynska M, Xiang DF, Zhang Z, Xu C, Narindoshvili T, Kamat SS, Williams HJ, Chang SS, Kolb P, Hillerich B, Sauder JM, Burley SK, Almo SC, Swaminathan S, Shoichet BK, Raushel FM. PMID: 24955762; PMCID: PMC4108184.
      View in: PubMed   Mentions: 8     Fields:    Translation:Cells
    110. Targeting class A and C serine β-lactamases with a broad-spectrum boronic acid derivative. J Med Chem. 2014 Jun 26; 57(12):5449-58. Tondi D, Venturelli A, Bonnet R, Pozzi C, Shoichet BK, Costi MP. PMID: 24882105; PMCID: PMC4079326.
      View in: PubMed   Mentions: 25     Fields:    Translation:Cells
    111. Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem. 2014 Jul; 6(7):575-83. Fischer M, Coleman RG, Fraser JS, Shoichet BK. PMID: 24950326; PMCID: PMC4144196.
      View in: PubMed   Mentions: 60     Fields:    Translation:Cells
    112. Increasing chemical space coverage by combining empirical and computational fragment screens. ACS Chem Biol. 2014 Jul 18; 9(7):1528-35. Barelier S, Eidam O, Fish I, Hollander J, Figaroa F, Nachane R, Irwin JJ, Shoichet BK, Siegal G. PMID: 24807704; PMCID: PMC4215856.
      View in: PubMed   Mentions: 25     Fields:    Translation:Cells
    113. Prediction of substrates for glutathione transferases by covalent docking. J Chem Inf Model. 2014 Jun 23; 54(6):1687-99. Dong GQ, Calhoun S, Fan H, Kalyanaraman C, Branch MC, Mashiyama ST, London N, Jacobson MP, Babbitt PC, Shoichet BK, Armstrong RN, Sali A. PMID: 24802635; PMCID: PMC4068255.
      View in: PubMed   Mentions: 10     Fields:    Translation:HumansAnimalsCells
    114. Substrate deconstruction and the nonadditivity of enzyme recognition. J Am Chem Soc. 2014 May 21; 136(20):7374-82. Barelier S, Cummings JA, Rauwerdink AM, Hitchcock DS, Farelli JD, Almo SC, Raushel FM, Allen KN, Shoichet BK. PMID: 24791931; PMCID: PMC4046767.
      View in: PubMed   Mentions: 15     Fields:    Translation:Cells
    115. Large-scale identification and analysis of suppressive drug interactions. Chem Biol. 2014 Apr 24; 21(4):541-551. Cokol M, Weinstein ZB, Yilancioglu K, Tasan M, Doak A, Cansever D, Mutlu B, Li S, Rodriguez-Esteban R, Akhmedov M, Guvenek A, Cokol M, Cetiner S, Giaever G, Iossifov I, Nislow C, Shoichet B, Roth FP. PMID: 24704506; PMCID: PMC4281482.
      View in: PubMed   Mentions: 19     Fields:    Translation:Animals
    116. Drug discovery: follow your lead. Nat Chem Biol. 2014 Apr; 10(4):244-5. Shoichet BK. PMID: 24643239.
      View in: PubMed   Mentions: 2     Fields:    Translation:Humans
    117. Colloidal drug formulations can explain "bell-shaped" concentration-response curves. ACS Chem Biol. 2014 Mar 21; 9(3):777-84. Owen SC, Doak AK, Ganesh AN, Nedyalkova L, McLaughlin CK, Shoichet BK, Shoichet MS. PMID: 24397822; PMCID: PMC3985758.
      View in: PubMed   Mentions: 56     Fields:    Translation:HumansCells
    118. In silico molecular comparisons of C. elegans and mammalian pharmacology identify distinct targets that regulate feeding. PLoS Biol. 2013 Nov; 11(11):e1001712. Lemieux GA, Keiser MJ, Sassano MF, Laggner C, Mayer F, Bainton RJ, Werb Z, Roth BL, Shoichet BK, Ashrafi K. PMID: 24260022; PMCID: PMC3833878.
      View in: PubMed   Mentions: 11     Fields:    Translation:HumansAnimals
    119. Ligand pose and orientational sampling in molecular docking. PLoS One. 2013; 8(10):e75992. Coleman RG, Carchia M, Sterling T, Irwin JJ, Shoichet BK. PMID: 24098414; PMCID: PMC3787967.
      View in: PubMed   Mentions: 76     Fields:    Translation:Cells
    120. Deamination of 6-aminodeoxyfutalosine in menaquinone biosynthesis by distantly related enzymes. Biochemistry. 2013 Sep 17; 52(37):6525-36. Goble AM, Toro R, Li X, Ornelas A, Fan H, Eswaramoorthy S, Patskovsky Y, Hillerich B, Seidel R, Sali A, Shoichet BK, Almo SC, Swaminathan S, Tanner ME, Raushel FM. PMID: 23972005; PMCID: PMC3813303.
      View in: PubMed   Mentions: 4     Fields:    Translation:Cells
    121. Structure-guided discovery of new deaminase enzymes. J Am Chem Soc. 2013 Sep 18; 135(37):13927-33. Hitchcock DS, Fan H, Kim J, Vetting M, Hillerich B, Seidel RD, Almo SC, Shoichet BK, Sali A, Raushel FM. PMID: 23968233; PMCID: PMC3827683.
      View in: PubMed   Mentions: 10     Fields:    Translation:Cells
    122. Blind prediction of charged ligand binding affinities in a model binding site. J Mol Biol. 2013 Nov 15; 425(22):4569-83. Rocklin GJ, Boyce SE, Fischer M, Fish I, Mobley DL, Shoichet BK, Dill KA. PMID: 23896298; PMCID: PMC3962782.
      View in: PubMed   Mentions: 25     Fields:    Translation:Cells
    123. Muscarinic receptors as model targets and antitargets for structure-based ligand discovery. Mol Pharmacol. 2013 Oct; 84(4):528-40. Kruse AC, Weiss DR, Rossi M, Hu J, Hu K, Eitel K, Gmeiner P, Wess J, Kobilka BK, Shoichet BK. PMID: 23887926; PMCID: PMC3781386.
      View in: PubMed   Mentions: 18     Fields:    Translation:HumansAnimalsCells
    124. Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities. PLoS One. 2013; 8(7):e69153. Barelier S, Boyce SE, Fish I, Fischer M, Goodin DB, Shoichet BK. PMID: 23874896; PMCID: PMC3715451.
      View in: PubMed   Mentions: 11     Fields:    Translation:Cells
    125. Structure-based discovery of antagonists of nuclear receptor LRH-1. J Biol Chem. 2013 Jul 05; 288(27):19830-44. Benod C, Carlsson J, Uthayaruban R, Hwang P, Irwin JJ, Doak AK, Shoichet BK, Sablin EP, Fletterick RJ. PMID: 23667258; PMCID: PMC3707686.
      View in: PubMed   Mentions: 44     Fields:    Translation:HumansCells
    126. Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor. ACS Chem Biol. 2013 May 17; 8(5):1018-26. Weiss DR, Ahn S, Sassano MF, Kleist A, Zhu X, Strachan R, Roth BL, Lefkowitz RJ, Shoichet BK. PMID: 23485065; PMCID: PMC3658555.
      View in: PubMed   Mentions: 45     Fields:    Translation:HumansCells
    127. The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J Med Chem. 2013 Apr 11; 56(7):2874-84. Merski M, Shoichet BK. PMID: 23473072; PMCID: PMC3624796.
      View in: PubMed   Mentions: 5     Fields:    Translation:Cells
    128. Colloidal aggregation causes inhibition of G protein-coupled receptors. J Med Chem. 2013 Mar 28; 56(6):2406-14. Sassano MF, Doak AK, Roth BL, Shoichet BK. PMID: 23437772; PMCID: PMC3613083.
      View in: PubMed   Mentions: 44     Fields:    Translation:Cells
    129. Chemical informatics uncovers a new role for moexipril as a novel inhibitor of cAMP phosphodiesterase-4 (PDE4). Biochem Pharmacol. 2013 May 01; 85(9):1297-305. Cameron RT, Coleman RG, Day JP, Yalla KC, Houslay MD, Adams DR, Shoichet BK, Baillie GS. PMID: 23473803; PMCID: PMC3625111.
      View in: PubMed   Mentions: 7     Fields:    Translation:HumansCells
    130. A pharmacological organization of G protein-coupled receptors. Nat Methods. 2013 Feb; 10(2):140-6. Lin H, Sassano MF, Roth BL, Shoichet BK. PMID: 23291723; PMCID: PMC3560304.
      View in: PubMed   Mentions: 46     Fields:    Translation:HumansCells
    131. Assignment of pterin deaminase activity to an enzyme of unknown function guided by homology modeling and docking. J Am Chem Soc. 2013 Jan 16; 135(2):795-803. Fan H, Hitchcock DS, Seidel RD, Hillerich B, Lin H, Almo SC, Sali A, Shoichet BK, Raushel FM. PMID: 23256477; PMCID: PMC3557803.
      View in: PubMed   Mentions: 17     Fields:    Translation:Cells
    132. Drug discovery: nature's pieces. Nat Chem. 2013 Jan; 5(1):9-10. Shoichet BK. PMID: 23247169.
      View in: PubMed   Mentions: 5     Fields:    
    133. Functional annotation and three-dimensional structure of an incorrectly annotated dihydroorotase from cog3964 in the amidohydrolase superfamily. Biochemistry. 2013 Jan 08; 52(1):228-38. Ornelas A, Korczynska M, Ragumani S, Kumaran D, Narindoshvili T, Shoichet BK, Swaminathan S, Raushel FM. PMID: 23214420; PMCID: PMC3542638.
      View in: PubMed   Mentions: 7     Fields:    Translation:Cells
    134. Fragment-guided design of subnanomolar β-lactamase inhibitors active in vivo. Proc Natl Acad Sci U S A. 2012 Oct 23; 109(43):17448-53. Eidam O, Romagnoli C, Dalmasso G, Barelier S, Caselli E, Bonnet R, Shoichet BK, Prati F. PMID: 23043117; PMCID: PMC3491531.
      View in: PubMed   Mentions: 37     Fields:    Translation:Cells
    135. Engineering a model protein cavity to catalyze the Kemp elimination. Proc Natl Acad Sci U S A. 2012 Oct 02; 109(40):16179-83. Merski M, Shoichet BK. PMID: 22988064; PMCID: PMC3479533.
      View in: PubMed   Mentions: 22     Fields:    Translation:Cells
    136. Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking. J Med Chem. 2012 Jul 26; 55(14):6582-94. Mysinger MM, Carchia M, Irwin JJ, Shoichet BK. PMID: 22716043; PMCID: PMC3405771.
      View in: PubMed   Mentions: 660     Fields:    Translation:HumansCells
    137. Identifying mechanism-of-action targets for drugs and probes. Proc Natl Acad Sci U S A. 2012 Jul 10; 109(28):11178-83. Gregori-Puigjané E, Setola V, Hert J, Crews BA, Irwin JJ, Lounkine E, Marnett L, Roth BL, Shoichet BK. PMID: 22711801; PMCID: PMC3396511.
      View in: PubMed   Mentions: 75     Fields:    Translation:Humans
    138. Large-scale prediction and testing of drug activity on side-effect targets. Nature. 2012 Jun 10; 486(7403):361-7. Lounkine E, Keiser MJ, Whitebread S, Mikhailov D, Hamon J, Jenkins JL, Lavan P, Weber E, Doak AK, Côté S, Shoichet BK, Urban L. PMID: 22722194; PMCID: PMC3383642.
      View in: PubMed   Mentions: 296     Fields:    Translation:HumansCells
    139. Colloidal aggregation affects the efficacy of anticancer drugs in cell culture. ACS Chem Biol. 2012 Aug 17; 7(8):1429-35. Owen SC, Doak AK, Wassam P, Shoichet MS, Shoichet BK. PMID: 22625864; PMCID: PMC3423826.
      View in: PubMed   Mentions: 65     Fields:    Translation:HumansCells
    140. Structure-based drug screening for G-protein-coupled receptors. Trends Pharmacol Sci. 2012 May; 33(5):268-72. Shoichet BK, Kobilka BK. PMID: 22503476; PMCID: PMC3523194.
      View in: PubMed   Mentions: 118     Fields:    Translation:Cells
    141. Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4. Proc Natl Acad Sci U S A. 2012 Apr 03; 109(14):5517-22. Mysinger MM, Weiss DR, Ziarek JJ, Gravel S, Doak AK, Karpiak J, Heveker N, Shoichet BK, Volkman BF. PMID: 22431600; PMCID: PMC3325704.
      View in: PubMed   Mentions: 55     Fields:    Translation:HumansCells
    142. A chemical screen identifies class a g-protein coupled receptors as regulators of cilia. ACS Chem Biol. 2012 May 18; 7(5):911-9. Avasthi P, Marley A, Lin H, Gregori-Puigjane E, Shoichet BK, von Zastrow M, Marshall WF. PMID: 22375814; PMCID: PMC3356477.
      View in: PubMed   Mentions: 23     Fields:    Translation:AnimalsCells
    143. Structure-based function discovery of an enzyme for the hydrolysis of phosphorylated sugar lactones. Biochemistry. 2012 Feb 28; 51(8):1762-73. Xiang DF, Kolb P, Fedorov AA, Xu C, Fedorov EV, Narindoshivili T, Williams HJ, Shoichet BK, Almo SC, Raushel FM. PMID: 22313111; PMCID: PMC3298459.
      View in: PubMed   Mentions: 11     Fields:    Translation:Cells
    144. Chemical informatics and target identification in a zebrafish phenotypic screen. Nat Chem Biol. 2011 Dec 18; 8(2):144-6. Laggner C, Kokel D, Setola V, Tolia A, Lin H, Irwin JJ, Keiser MJ, Cheung CY, Minor DL, Roth BL, Peterson RT, Shoichet BK. PMID: 22179068; PMCID: PMC3262069.
      View in: PubMed   Mentions: 52     Fields:    Translation:Animals
    145. Statistical potential for modeling and ranking of protein-ligand interactions. J Chem Inf Model. 2011 Dec 27; 51(12):3078-92. Fan H, Schneidman-Duhovny D, Irwin JJ, Dong G, Shoichet BK, Sali A. PMID: 22014038; PMCID: PMC3246566.
      View in: PubMed   Mentions: 22     Fields:    Translation:HumansAnimalsCells
    146. The Enzyme Function Initiative. Biochemistry. 2011 Nov 22; 50(46):9950-62. Gerlt JA, Allen KN, Almo SC, Armstrong RN, Babbitt PC, Cronan JE, Dunaway-Mariano D, Imker HJ, Jacobson MP, Minor W, Poulter CD, Raushel FM, Sali A, Shoichet BK, Sweedler JV. PMID: 21999478; PMCID: PMC3238057.
      View in: PubMed   Mentions: 96     Fields:    Translation:HumansAnimalsCells
    147. Ligand discovery from a dopamine D3 receptor homology model and crystal structure. Nat Chem Biol. 2011 Sep 18; 7(11):769-78. Carlsson J, Coleman RG, Setola V, Irwin JJ, Fan H, Schlessinger A, Sali A, Roth BL, Shoichet BK. PMID: 21926995; PMCID: PMC3197762.
      View in: PubMed   Mentions: 126     Fields:    Translation:Cells
    148. Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET. Proc Natl Acad Sci U S A. 2011 Sep 20; 108(38):15810-5. Schlessinger A, Geier E, Fan H, Irwin JJ, Shoichet BK, Giacomini KM, Sali A. PMID: 21885739; PMCID: PMC3179104.
      View in: PubMed   Mentions: 66     Fields:    Translation:HumansCells
    149. A survey of antiprion compounds reveals the prevalence of non-PrP molecular targets. J Biol Chem. 2011 Aug 05; 286(31):27718-28. Poncet-Montange G, St Martin SJ, Bogatova OV, Prusiner SB, Shoichet BK, Ghaemmaghami S. PMID: 21610081; PMCID: PMC3149362.
      View in: PubMed   Mentions: 10     Fields:    Translation:AnimalsCells
    150. Enzymatic deamination of the epigenetic base N-6-methyladenine. J Am Chem Soc. 2011 Feb 23; 133(7):2080-3. Kamat SS, Fan H, Sauder JM, Burley SK, Shoichet BK, Sali A, Raushel FM. PMID: 21275375; PMCID: PMC3043370.
      View in: PubMed   Mentions: 20     Fields:    Translation:Cells
    151. The chemical basis of pharmacology. Biochemistry. 2010 Dec 07; 49(48):10267-76. Keiser MJ, Irwin JJ, Shoichet BK. PMID: 21058655; PMCID: PMC2994275.
      View in: PubMed   Mentions: 36     Fields:    Translation:HumansAnimalsCells
    152. Design, synthesis, crystal structures, and antimicrobial activity of sulfonamide boronic acids as β-lactamase inhibitors. J Med Chem. 2010 Nov 11; 53(21):7852-63. Eidam O, Romagnoli C, Caselli E, Babaoglu K, Pohlhaus DT, Karpiak J, Bonnet R, Shoichet BK, Prati F. PMID: 20945905; PMCID: PMC3166525.
      View in: PubMed   Mentions: 23     Fields:    Translation:Cells
    153. The presynaptic component of the serotonergic system is required for clozapine's efficacy. Neuropsychopharmacology. 2011 Feb; 36(3):638-51. Yadav PN, Abbas AI, Farrell MS, Setola V, Sciaky N, Huang XP, Kroeze WK, Crawford LK, Piel DA, Keiser MJ, Irwin JJ, Shoichet BK, Deneris ES, Gingrich J, Beck SG, Roth BL. PMID: 21048700; PMCID: PMC3055689.
      View in: PubMed   Mentions: 42     Fields:    Translation:AnimalsCells
    154. Rapid context-dependent ligand desolvation in molecular docking. J Chem Inf Model. 2010 Sep 27; 50(9):1561-73. Mysinger MM, Shoichet BK. PMID: 20735049.
      View in: PubMed   Mentions: 139     Fields:    Translation:Cells
    155. Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem. 2010 Jul 08; 53(13):4891-905. Ferreira RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ, Shoichet BK. PMID: 20540517; PMCID: PMC2895358.
      View in: PubMed   Mentions: 65     Fields:    Translation:Humans
    156. Colloid formation by drugs in simulated intestinal fluid. J Med Chem. 2010 May 27; 53(10):4259-65. Doak AK, Wille H, Prusiner SB, Shoichet BK. PMID: 20426472; PMCID: PMC2874266.
      View in: PubMed   Mentions: 34     Fields:    Translation:Cells
    157. Structure-based discovery of A2A adenosine receptor ligands. J Med Chem. 2010 May 13; 53(9):3748-55. Carlsson J, Yoo L, Gao ZG, Irwin JJ, Shoichet BK, Jacobson KA. PMID: 20405927; PMCID: PMC2865168.
      View in: PubMed   Mentions: 83     Fields:    Translation:HumansCells
    158. Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors. Bioorg Med Chem Lett. 2010 Jun 01; 20(11):3416-9. Tondi D, Calò S, Shoichet BK, Costi MP. PMID: 20452208; PMCID: PMC3177945.
      View in: PubMed   Mentions: 14     Fields:    Translation:Cells
    159. Prediction and evaluation of protein farnesyltransferase inhibition by commercial drugs. J Med Chem. 2010 Mar 25; 53(6):2464-71. DeGraw AJ, Keiser MJ, Ochocki JD, Shoichet BK, Distefano MD. PMID: 20180535; PMCID: PMC2867455.
      View in: PubMed   Mentions: 16     Fields:    Translation:AnimalsCells
    160. The hunt for 8-oxoguanine deaminase. J Am Chem Soc. 2010 Feb 17; 132(6):1762-3. Hall RS, Fedorov AA, Marti-Arbona R, Fedorov EV, Kolb P, Sauder JM, Burley SK, Shoichet BK, Almo SC, Raushel FM. PMID: 20088583; PMCID: PMC2820149.
      View in: PubMed   Mentions: 22     Fields:    Translation:HumansCells
    161. Structure, mechanism, and substrate profile for Sco3058: the closest bacterial homologue to human renal dipeptidase . Biochemistry. 2010 Jan 26; 49(3):611-22. Cummings JA, Nguyen TT, Fedorov AA, Kolb P, Xu C, Fedorov EV, Shoichet BK, Barondeau DP, Almo SC, Raushel FM. PMID: 20000809; PMCID: PMC2808448.
      View in: PubMed   Mentions: 8     Fields:    Translation:HumansCells
    162. Rapid behavior-based identification of neuroactive small molecules in the zebrafish. Nat Chem Biol. 2010 Mar; 6(3):231-237. Kokel D, Bryan J, Laggner C, White R, Cheung CY, Mateus R, Healey D, Kim S, Werdich AA, Haggarty SJ, Macrae CA, Shoichet B, Peterson RT. PMID: 20081854; PMCID: PMC2834185.
      View in: PubMed   Mentions: 215     Fields:    
    163. Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem. 2010 Jan 14; 53(1):37-51. Jadhav A, Ferreira RS, Klumpp C, Mott BT, Austin CP, Inglese J, Thomas CJ, Maloney DJ, Shoichet BK, Simeonov A. PMID: 19908840; PMCID: PMC2992957.
      View in: PubMed   Mentions: 79     Fields:    
    164. Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. J Med Chem. 2010 Jan 14; 53(1):52-60. Mott BT, Ferreira RS, Simeonov A, Jadhav A, Ang KK, Leister W, Shen M, Silveira JT, Doyle PS, Arkin MR, McKerrow JH, Inglese J, Austin CP, Thomas CJ, Shoichet BK, Maloney DJ. PMID: 19908842; PMCID: PMC2804034.
      View in: PubMed   Mentions: 30     Fields:    Translation:AnimalsCells
    165. Structural bases for stability-function tradeoffs in antibiotic resistance. J Mol Biol. 2010 Feb 12; 396(1):47-59. Thomas VL, McReynolds AC, Shoichet BK. PMID: 19913034; PMCID: PMC2815101.
      View in: PubMed   Mentions: 50     Fields:    Translation:Cells
    166. Molecular docking screens using comparative models of proteins. J Chem Inf Model. 2009 Nov; 49(11):2512-27. Fan H, Irwin JJ, Webb BM, Klebe G, Shoichet BK, Sali A. PMID: 19845314; PMCID: PMC2790034.
      View in: PubMed   Mentions: 66     Fields:    Translation:Cells
    167. Predicting new molecular targets for known drugs. Nature. 2009 Nov 12; 462(7270):175-81. Keiser MJ, Setola V, Irwin JJ, Laggner C, Abbas AI, Hufeisen SJ, Jensen NH, Kuijer MB, Matos RC, Tran TB, Whaley R, Glennon RA, Hert J, Thomas KL, Edwards DD, Shoichet BK, Roth BL. PMID: 19881490; PMCID: PMC2784146.
      View in: PubMed   Mentions: 617     Fields:    Translation:HumansAnimals
    168. Crystal structures of penicillin-binding protein 6 from Escherichia coli. J Am Chem Soc. 2009 Oct 14; 131(40):14345-54. Chen Y, Zhang W, Shi Q, Hesek D, Lee M, Mobashery S, Shoichet BK. PMID: 19807181; PMCID: PMC3697005.
      View in: PubMed   Mentions: 30     Fields:    Translation:Cells
    169. Automated docking screens: a feasibility study. J Med Chem. 2009 Sep 24; 52(18):5712-20. Irwin JJ, Shoichet BK, Mysinger MM, Huang N, Colizzi F, Wassam P, Cao Y. PMID: 19719084; PMCID: PMC2745826.
      View in: PubMed   Mentions: 103     Fields:    Translation:Cells
    170. Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J Mol Biol. 2009 Dec 11; 394(4):747-63. Boyce SE, Mobley DL, Rocklin GJ, Graves AP, Dill KA, Shoichet BK. PMID: 19782087; PMCID: PMC2788029.
      View in: PubMed   Mentions: 84     Fields:    Translation:Cells
    171. Docking and chemoinformatic screens for new ligands and targets. Curr Opin Biotechnol. 2009 Aug; 20(4):429-36. Kolb P, Ferreira RS, Irwin JJ, Shoichet BK. PMID: 19733475; PMCID: PMC2766606.
      View in: PubMed   Mentions: 66     Fields:    Translation:Cells
    172. Divergent modes of enzyme inhibition in a homologous structure-activity series. J Med Chem. 2009 Aug 27; 52(16):5005-8. Ferreira RS, Bryant C, Ang KK, McKerrow JH, Shoichet BK, Renslo AR. PMID: 19637873; PMCID: PMC3760508.
      View in: PubMed   Mentions: 22     Fields:    Translation:Animals
    173. Quantifying biogenic bias in screening libraries. Nat Chem Biol. 2009 Jul; 5(7):479-83. Hert J, Irwin JJ, Laggner C, Keiser MJ, Shoichet BK. PMID: 19483698; PMCID: PMC2783405.
      View in: PubMed   Mentions: 72     Fields:    Translation:Cells
    174. Docking for fragment inhibitors of AmpC beta-lactamase. Proc Natl Acad Sci U S A. 2009 May 05; 106(18):7455-60. Teotico DG, Babaoglu K, Rocklin GJ, Ferreira RS, Giannetti AM, Shoichet BK. PMID: 19416920; PMCID: PMC2671983.
      View in: PubMed   Mentions: 45     Fields:    
    175. Promiscuous aggregate-based inhibitors promote enzyme unfolding. J Med Chem. 2009 Apr 09; 52(7):2067-75. Coan KE, Maltby DA, Burlingame AL, Shoichet BK. PMID: 19281222; PMCID: PMC2664636.
      View in: PubMed   Mentions: 80     Fields:    Translation:Cells
    176. Structure-based discovery of beta2-adrenergic receptor ligands. Proc Natl Acad Sci U S A. 2009 Apr 21; 106(16):6843-8. Kolb P, Rosenbaum DM, Irwin JJ, Fung JJ, Kobilka BK, Shoichet BK. PMID: 19342484; PMCID: PMC2672528.
      View in: PubMed   Mentions: 114     Fields:    Translation:Cells
    177. Molecular docking and ligand specificity in fragment-based inhibitor discovery. Nat Chem Biol. 2009 May; 5(5):358-64. Chen Y, Shoichet BK. PMID: 19305397; PMCID: PMC4006998.
      View in: PubMed   Mentions: 73     Fields:    Translation:Cells
    178. Functional annotation and three-dimensional structure of Dr0930 from Deinococcus radiodurans, a close relative of phosphotriesterase in the amidohydrolase superfamily. Biochemistry. 2009 Mar 17; 48(10):2237-47. Xiang DF, Kolb P, Fedorov AA, Meier MM, Fedorov LV, Nguyen TT, Sterner R, Almo SC, Shoichet BK, Raushel FM. PMID: 19159332; PMCID: PMC3176505.
      View in: PubMed   Mentions: 45     Fields:    Translation:Cells
    179. Re-examining the role of Lys67 in class C beta-lactamase catalysis. Protein Sci. 2009 Mar; 18(3):662-9. Chen Y, McReynolds A, Shoichet BK. PMID: 19241376; PMCID: PMC2760372.
      View in: PubMed   Mentions: 17     Fields:    Translation:Cells
    180. Genetic and structural characterization of an L201P global suppressor substitution in TEM-1 beta-lactamase. J Mol Biol. 2008 Dec 05; 384(1):151-64. Marciano DC, Pennington JM, Wang X, Wang J, Chen Y, Thomas VL, Shoichet BK, Palzkill T. PMID: 18822298; PMCID: PMC2644635.
      View in: PubMed   Mentions: 32     Fields:    Translation:Cells
    181. Exploiting ordered waters in molecular docking. J Med Chem. 2008 Aug 28; 51(16):4862-5. Huang N, Shoichet BK. PMID: 18680357; PMCID: PMC2719016.
      View in: PubMed   Mentions: 36     Fields:    Translation:Cells
    182. Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors. J Am Chem Soc. 2008 Jul 23; 130(29):9606-12. Coan KE, Shoichet BK. PMID: 18588298; PMCID: PMC2627561.
      View in: PubMed   Mentions: 96     Fields:    
    183. Quantifying the relationships among drug classes. J Chem Inf Model. 2008 Apr; 48(4):755-65. Hert J, Keiser MJ, Irwin JJ, Oprea TI, Shoichet BK. PMID: 18335977; PMCID: PMC2722950.
      View in: PubMed   Mentions: 55     Fields:    Translation:Cells
    184. Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J Med Chem. 2008 Apr 24; 51(8):2502-11. Babaoglu K, Simeonov A, Irwin JJ, Nelson ME, Feng B, Thomas CJ, Cancian L, Costi MP, Maltby DA, Jadhav A, Inglese J, Austin CP, Shoichet BK. PMID: 18333608; PMCID: PMC2655312.
      View in: PubMed   Mentions: 72     Fields:    
    185. Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J Mol Biol. 2008 Mar 28; 377(3):914-34. Graves AP, Shivakumar DM, Boyce SE, Jacobson MP, Case DA, Shoichet BK. PMID: 18280498; PMCID: PMC2752715.
      View in: PubMed   Mentions: 71     Fields:    Translation:Cells
    186. Small-molecule aggregates inhibit amyloid polymerization. Nat Chem Biol. 2008 Mar; 4(3):197-9. Feng BY, Toyama BH, Wille H, Colby DW, Collins SR, May BC, Prusiner SB, Weissman J, Shoichet BK. PMID: 18223646; PMCID: PMC2730835.
      View in: PubMed   Mentions: 100     Fields:    Translation:AnimalsCells
    187. Structure-based optimization of cephalothin-analogue boronic acids as beta-lactamase inhibitors. Bioorg Med Chem. 2008 Feb 01; 16(3):1195-205. Morandi S, Morandi F, Caselli E, Shoichet BK, Prati F. PMID: 17997318; PMCID: PMC2396669.
      View in: PubMed   Mentions: 28     Fields:    Translation:Cells
    188. Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy. J Med Chem. 2007 Nov 15; 50(23):5644-54. Venturelli A, Tondi D, Cancian L, Morandi F, Cannazza G, Segatore B, Prati F, Amicosante G, Shoichet BK, Costi MP. PMID: 17956081.
      View in: PubMed   Mentions: 16     Fields:    Translation:Cells
    189. Structure and dynamics of CTX-M enzymes reveal insights into substrate accommodation by extended-spectrum beta-lactamases. J Mol Biol. 2008 Jan 04; 375(1):192-201. Delmas J, Chen Y, Prati F, Robin F, Shoichet BK, Bonnet R. PMID: 17999931.
      View in: PubMed   Mentions: 32     Fields:    Translation:Cells
    190. No free energy lunch. Nat Biotechnol. 2007 Oct; 25(10):1109-10. Shoichet BK. PMID: 17921992.
      View in: PubMed   Mentions: 5     Fields:    Translation:Cells
    191. O-aryloxycarbonyl hydroxamates: new beta-lactamase inhibitors that cross-link the active site. J Am Chem Soc. 2007 Aug 08; 129(31):9548-9. Wyrembak PN, Babaoglu K, Pelto RB, Shoichet BK, Pratt RF. PMID: 17628063.
      View in: PubMed   Mentions: 14     Fields:    Translation:Cells
    192. Structure-based activity prediction for an enzyme of unknown function. Nature. 2007 Aug 16; 448(7155):775-9. Hermann JC, Marti-Arbona R, Fedorov AA, Fedorov E, Almo SC, Shoichet BK, Raushel FM. PMID: 17603473; PMCID: PMC2254328.
      View in: PubMed   Mentions: 119     Fields:    Translation:Cells
    193. Predicting absolute ligand binding free energies to a simple model site. J Mol Biol. 2007 Aug 24; 371(4):1118-34. Mobley DL, Graves AP, Chodera JD, McReynolds AC, Shoichet BK, Dill KA. PMID: 17599350; PMCID: PMC2104542.
      View in: PubMed   Mentions: 130     Fields:    Translation:Cells
    194. Stability for function trade-offs in the enolase superfamily "catalytic module". Biochemistry. 2007 Jun 12; 46(23):6688-95. Nagatani RA, Gonzalez A, Shoichet BK, Brinen LS, Babbitt PC. PMID: 17503785.
      View in: PubMed   Mentions: 21     Fields:    Translation:Cells
    195. A high-throughput screen for aggregation-based inhibition in a large compound library. J Med Chem. 2007 May 17; 50(10):2385-90. Feng BY, Simeonov A, Jadhav A, Babaoglu K, Inglese J, Shoichet BK, Austin CP. PMID: 17447748.
      View in: PubMed   Mentions: 157     Fields:    
    196. The acylation mechanism of CTX-M beta-lactamase at 0.88 a resolution. J Am Chem Soc. 2007 May 02; 129(17):5378-80. Chen Y, Bonnet R, Shoichet BK. PMID: 17408273; PMCID: PMC2577156.
      View in: PubMed   Mentions: 31     Fields:    Translation:Cells
    197. An interview with Brian Shoichet, Ph.D. Professor, Department of Pharmaceutical Chemistry, University of California, San Francisco. Assay Drug Dev Technol. 2007 Apr; 5(2):157-61. Shoichet B. PMID: 17477825.
      View in: PubMed   Mentions:    Fields:    Translation:Cells
    198. Relating protein pharmacology by ligand chemistry. Nat Biotechnol. 2007 Feb; 25(2):197-206. Keiser MJ, Roth BL, Armbruster BN, Ernsberger P, Irwin JJ, Shoichet BK. PMID: 17287757.
      View in: PubMed   Mentions: 692     Fields:    Translation:Cells
    199. Stability and equilibria of promiscuous aggregates in high protein milieus. Mol Biosyst. 2007 Mar; 3(3):208-13. Coan KE, Shoichet BK. PMID: 17308667.
      View in: PubMed   Mentions: 39     Fields:    Translation:AnimalsCells
    200. Interpreting steep dose-response curves in early inhibitor discovery. J Med Chem. 2006 Dec 14; 49(25):7274-7. Shoichet BK. PMID: 17149857.
      View in: PubMed   Mentions: 120     Fields:    Translation:Cells
    201. Resolution of chiral phosphate, phosphonate, and phosphinate esters by an enantioselective enzyme library. J Am Chem Soc. 2006 Dec 13; 128(49):15892-902. Nowlan C, Li Y, Hermann JC, Evans T, Carpenter J, Ghanem E, Shoichet BK, Raushel FM. PMID: 17147402.
      View in: PubMed   Mentions: 15     Fields:    Translation:Cells
    202. Predicting substrates by docking high-energy intermediates to enzyme structures. J Am Chem Soc. 2006 Dec 13; 128(49):15882-91. Hermann JC, Ghanem E, Li Y, Raushel FM, Irwin JJ, Shoichet BK. PMID: 17147401.
      View in: PubMed   Mentions: 46     Fields:    Translation:Cells
    203. Benchmarking sets for molecular docking. J Med Chem. 2006 Nov 16; 49(23):6789-801. Huang N, Shoichet BK, Irwin JJ. PMID: 17154509; PMCID: PMC3383317.
      View in: PubMed   Mentions: 417     Fields:    Translation:Cells
    204. Deconstructing fragment-based inhibitor discovery. Nat Chem Biol. 2006 Dec; 2(12):720-3. Babaoglu K, Shoichet BK. PMID: 17072304.
      View in: PubMed   Mentions: 54     Fields:    Translation:Cells
    205. Prediction of protein-ligand interactions. Docking and scoring: successes and gaps. J Med Chem. 2006 Oct 05; 49(20):5851-5. Leach AR, Shoichet BK, Peishoff CE. PMID: 17004700.
      View in: PubMed   Mentions: 187     Fields:    Translation:Cells
    206. Screening in a spirit haunted world. Drug Discov Today. 2006 Jul; 11(13-14):607-15. Shoichet BK. PMID: 16793529; PMCID: PMC1524586.
      View in: PubMed   Mentions: 97     Fields:    Translation:Cells
    207. Synergy and antagonism of promiscuous inhibition in multiple-compound mixtures. J Med Chem. 2006 Apr 06; 49(7):2151-4. Feng BY, Shoichet BK. PMID: 16570910; PMCID: PMC1540993.
      View in: PubMed   Mentions: 27     Fields:    
    208. The deacylation mechanism of AmpC beta-lactamase at ultrahigh resolution. J Am Chem Soc. 2006 Mar 08; 128(9):2970-6. Chen Y, Minasov G, Roth TA, Prati F, Shoichet BK. PMID: 16506777; PMCID: PMC1544378.
      View in: PubMed   Mentions: 37     Fields:    Translation:Cells
    209. Probing molecular docking in a charged model binding site. J Mol Biol. 2006 Apr 14; 357(5):1449-70. Brenk R, Vetter SW, Boyce SE, Goodin DB, Shoichet BK. PMID: 16490206; PMCID: PMC3025978.
      View in: PubMed   Mentions: 27     Fields:    Translation:Cells
    210. A detergent-based assay for the detection of promiscuous inhibitors. Nat Protoc. 2006; 1(2):550-3. Feng BY, Shoichet BK. PMID: 17191086; PMCID: PMC1544377.
      View in: PubMed   Mentions: 190     Fields:    Translation:Cells
    211. Virtual screening against metalloenzymes for inhibitors and substrates. Biochemistry. 2005 Sep 20; 44(37):12316-28. Irwin JJ, Raushel FM, Shoichet BK. PMID: 16156645.
      View in: PubMed   Mentions: 51     Fields:    Translation:Cells
    212. Here be dragons: docking and screening in an uncharted region of chemical space. J Biomol Screen. 2005 Oct; 10(7):667-74. Brenk R, Irwin JJ, Shoichet BK. PMID: 16170052; PMCID: PMC1532927.
      View in: PubMed   Mentions: 16     Fields:    Translation:Cells
    213. Structural consequences of the inhibitor-resistant Ser130Gly substitution in TEM beta-lactamase. Biochemistry. 2005 Jul 05; 44(26):9330-8. Thomas VL, Golemi-Kotra D, Kim C, Vakulenko SB, Mobashery S, Shoichet BK. PMID: 15981999; PMCID: PMC1382196.
      View in: PubMed   Mentions: 35     Fields:    
    214. High-throughput assays for promiscuous inhibitors. Nat Chem Biol. 2005 Aug; 1(3):146-8. Feng BY, Shelat A, Doman TN, Guy RK, Shoichet BK. PMID: 16408018.
      View in: PubMed   Mentions: 121     Fields:    
    215. Decoys for docking. J Med Chem. 2005 Jun 02; 48(11):3714-28. Graves AP, Brenk R, Shoichet BK. PMID: 15916423; PMCID: PMC1557646.
      View in: PubMed   Mentions: 40     Fields:    Translation:Cells
    216. Atomic resolution structures of CTX-M beta-lactamases: extended spectrum activities from increased mobility and decreased stability. J Mol Biol. 2005 Apr 29; 348(2):349-62. Chen Y, Delmas J, Sirot J, Shoichet B, Bonnet R. PMID: 15811373.
      View in: PubMed   Mentions: 75     Fields:    Translation:Cells
    217. Structure, function, and inhibition along the reaction coordinate of CTX-M beta-lactamases. J Am Chem Soc. 2005 Apr 20; 127(15):5423-34. Chen Y, Shoichet B, Bonnet R. PMID: 15826180; PMCID: PMC1360657.
      View in: PubMed   Mentions: 58     Fields:    Translation:Cells
    218. Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture. J Am Chem Soc. 2005 Apr 06; 127(13):4632-9. Tondi D, Morandi F, Bonnet R, Costi MP, Shoichet BK. PMID: 15796528; PMCID: PMC1360654.
      View in: PubMed   Mentions: 22     Fields:    Translation:Cells
    219. ZINC--a free database of commercially available compounds for virtual screening. J Chem Inf Model. 2005 Jan-Feb; 45(1):177-82. Irwin JJ, Shoichet BK. PMID: 15667143; PMCID: PMC1360656.
      View in: PubMed   Mentions: 1229     Fields:    Translation:Cells
    220. Hierarchical docking of databases of multiple ligand conformations. Curr Top Med Chem. 2005; 5(8):739-49. Lorber DM, Shoichet BK. PMID: 16101414; PMCID: PMC1364474.
      View in: PubMed   Mentions: 70     Fields:    Translation:Cells
    221. Virtual screening of chemical libraries. Nature. 2004 Dec 16; 432(7019):862-5. Shoichet BK. PMID: 15602552; PMCID: PMC1360234.
      View in: PubMed   Mentions: 389     Fields:    Translation:Cells
    222. Soft docking and multiple receptor conformations in virtual screening. J Med Chem. 2004 Oct 07; 47(21):5076-84. Ferrari AM, Wei BQ, Costantino L, Shoichet BK. PMID: 15456251; PMCID: PMC1413506.
      View in: PubMed   Mentions: 65     Fields:    Translation:Cells
    223. Testing a flexible-receptor docking algorithm in a model binding site. J Mol Biol. 2004 Apr 09; 337(5):1161-82. Wei BQ, Weaver LH, Ferrari AM, Matthews BW, Shoichet BK. PMID: 15046985.
      View in: PubMed   Mentions: 54     Fields:    Translation:Cells
    224. Allosteric inhibition through core disruption. J Mol Biol. 2004 Mar 05; 336(5):1283-91. Horn JR, Shoichet BK. PMID: 15037085.
      View in: PubMed   Mentions: 47     Fields:    Translation:Cells
    225. Thermodynamic cycle analysis and inhibitor design against beta-lactamase. Biochemistry. 2003 Dec 16; 42(49):14483-91. Roth TA, Minasov G, Morandi S, Prati F, Shoichet BK. PMID: 14661960.
      View in: PubMed   Mentions: 10     Fields:    Translation:Cells
    226. Identification and prediction of promiscuous aggregating inhibitors among known drugs. J Med Chem. 2003 Oct 09; 46(21):4477-86. Seidler J, McGovern SL, Doman TN, Shoichet BK. PMID: 14521410.
      View in: PubMed   Mentions: 159     Fields:    Translation:Cells
    227. A specific mechanism of nonspecific inhibition. J Med Chem. 2003 Sep 25; 46(20):4265-72. McGovern SL, Helfand BT, Feng B, Shoichet BK. PMID: 13678405.
      View in: PubMed   Mentions: 204     Fields:    
    228. Structural aspects for evolution of beta-lactamases from penicillin-binding proteins. J Am Chem Soc. 2003 Aug 13; 125(32):9612-8. Meroueh SO, Minasov G, Lee W, Shoichet BK, Mobashery S. PMID: 12904027.
      View in: PubMed   Mentions: 29     Fields:    Translation:Cells
    229. Recognition and resistance in TEM beta-lactamase. Biochemistry. 2003 Jul 22; 42(28):8434-44. Wang X, Minasov G, Blázquez J, Caselli E, Prati F, Shoichet BK. PMID: 12859188.
      View in: PubMed   Mentions: 23     Fields:    Translation:Cells
    230. Information decay in molecular docking screens against holo, apo, and modeled conformations of enzymes. J Med Chem. 2003 Jul 03; 46(14):2895-907. McGovern SL, Shoichet BK. PMID: 12825931.
      View in: PubMed   Mentions: 92     Fields:    Translation:HumansAnimalsCells
    231. Kinase inhibitors: not just for kinases anymore. J Med Chem. 2003 Apr 10; 46(8):1478-83. McGovern SL, Shoichet BK. PMID: 12672248.
      View in: PubMed   Mentions: 67     Fields:    
    232. Structure-based inhibitor discovery against adenylyl cyclase toxins from pathogenic bacteria that cause anthrax and whooping cough. J Biol Chem. 2003 Jul 11; 278(28):25990-7. Soelaiman S, Wei BQ, Bergson P, Lee YS, Shen Y, Mrksich M, Shoichet BK, Tang WJ. PMID: 12676933.
      View in: PubMed   Mentions: 38     Fields:    Translation:Cells
    233. A molecular docking strategy identifies Eosin B as a non-active site inhibitor of protozoal bifunctional thymidylate synthase-dihydrofolate reductase. J Biol Chem. 2003 Apr 18; 278(16):14092-100. Atreya CE, Johnson EF, Irwin JJ, Dow A, Massimine KM, Coppens I, Stempliuk V, Beverley S, Joiner KA, Shoichet BK, Anderson KS. PMID: 12556445.
      View in: PubMed   Mentions: 10     Fields:    Translation:AnimalsCells
    234. Nanomolar inhibitors of AmpC beta-lactamase. J Am Chem Soc. 2003 Jan 22; 125(3):685-95. Morandi F, Caselli E, Morandi S, Focia PJ, Blázquez J, Shoichet BK, Prati F. PMID: 12526668.
      View in: PubMed   Mentions: 48     Fields:    Translation:Cells
    235. A model binding site for testing scoring functions in molecular docking. J Mol Biol. 2002 Sep 13; 322(2):339-55. Wei BQ, Baase WA, Weaver LH, Matthews BW, Shoichet BK. PMID: 12217695.
      View in: PubMed   Mentions: 95     Fields:    Translation:Cells
    236. Structural bases of stability-function tradeoffs in enzymes. J Mol Biol. 2002 Aug 09; 321(2):285-96. Beadle BM, Shoichet BK. PMID: 12144785.
      View in: PubMed   Mentions: 102     Fields:    Translation:Cells
    237. Lead discovery using molecular docking. Curr Opin Chem Biol. 2002 Aug; 6(4):439-46. Shoichet BK, McGovern SL, Wei B, Irwin JJ. PMID: 12133718.
      View in: PubMed   Mentions: 108     Fields:    Translation:HumansAnimalsCells
    238. Structure-based approach for binding site identification on AmpC beta-lactamase. J Med Chem. 2002 Jul 18; 45(15):3222-34. Powers RA, Shoichet BK. PMID: 12109906.
      View in: PubMed   Mentions: 40     Fields:    Translation:Cells
    239. Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase. Structure. 2002 Jul; 10(7):1013-23. Powers RA, Morandi F, Shoichet BK. PMID: 12121656.
      View in: PubMed   Mentions: 50     Fields:    Translation:Cells
    240. Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs. J Mol Biol. 2002 Jun 28; 320(1):85-95. Wang X, Minasov G, Shoichet BK. PMID: 12079336.
      View in: PubMed   Mentions: 232     Fields:    Translation:Cells
    241. Protein-protein docking with multiple residue conformations and residue substitutions. Protein Sci. 2002 Jun; 11(6):1393-408. Lorber DM, Udo MK, Shoichet BK. PMID: 12021438; PMCID: PMC2373613.
      View in: PubMed   Mentions: 17     Fields:    Translation:HumansAnimalsCells
    242. Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B. J Med Chem. 2002 May 23; 45(11):2213-21. Doman TN, McGovern SL, Witherbee BJ, Kasten TP, Kurumbail R, Stallings WC, Connolly DT, Shoichet BK. PMID: 12014959.
      View in: PubMed   Mentions: 114     Fields:    Translation:Cells
    243. An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation. J Am Chem Soc. 2002 May 15; 124(19):5333-40. Minasov G, Wang X, Shoichet BK. PMID: 11996574.
      View in: PubMed   Mentions: 79     Fields:    Translation:Cells
    244. A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem. 2002 Apr 11; 45(8):1712-22. McGovern SL, Caselli E, Grigorieff N, Shoichet BK. PMID: 11931626.
      View in: PubMed   Mentions: 323     Fields:    Translation:Cells
    245. Noncovalent interaction energies in covalent complexes: TEM-1 beta-lactamase and beta-lactams. Proteins. 2002 Apr 01; 47(1):86-96. Wang X, Minasov G, Shoichet BK. PMID: 11870868.
      View in: PubMed   Mentions: 25     Fields:    Translation:Cells
    246. Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase. Structure. 2002 Mar; 10(3):413-24. Beadle BM, Trehan I, Focia PJ, Shoichet BK. PMID: 12005439.
      View in: PubMed   Mentions: 51     Fields:    Translation:Cells
    247. Inhibition of AmpC beta-lactamase through a destabilizing interaction in the active site. Biochemistry. 2001 Jul 10; 40(27):7992-9. Trehan I, Beadle BM, Shoichet BK. PMID: 11434768.
      View in: PubMed   Mentions: 13     Fields:    Translation:Cells
    248. Interaction energies between beta-lactam antibiotics and E. coli penicillin-binding protein 5 by reversible thermal denaturation. Protein Sci. 2001 Jun; 10(6):1254-9. Beadle BM, Nicholas RA, Shoichet BK. PMID: 11369864; PMCID: PMC2374021.
      View in: PubMed   Mentions: 8     Fields:    Translation:Cells
    249. Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase. Chem Biol. 2001 Jun; 8(6):593-611. Tondi D, Powers RA, Caselli E, Negri MC, Blázquez J, Costi MP, Shoichet BK. PMID: 11410378.
      View in: PubMed   Mentions: 11     Fields:    Translation:Cells
    250. Docking molecules by families to increase the diversity of hits in database screens: computational strategy and experimental evaluation. Proteins. 2001 Feb 01; 42(2):279-93. Su AI, Lorber DM, Weston GS, Baase WA, Matthews BW, Shoichet BK. PMID: 11119652.
      View in: PubMed   Mentions: 15     Fields:    Translation:Cells
    251. Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases. Chem Biol. 2001 Jan; 8(1):17-31. Caselli E, Powers RA, Blasczcak LC, Wu CY, Prati F, Shoichet BK. PMID: 11182316.
      View in: PubMed   Mentions: 30     Fields:    Translation:HumansCells
    252. The complexed structure and antimicrobial activity of a non-beta-lactam inhibitor of AmpC beta-lactamase. Protein Sci. 1999 Nov; 8(11):2330-7. Powers RA, Blázquez J, Weston GS, Morosini MI, Baquero F, Shoichet BK. PMID: 10595535; PMCID: PMC2144209.
      View in: PubMed   Mentions: 26     Fields:    Translation:Cells
    253. Functional analyses of AmpC beta-lactamase through differential stability. Protein Sci. 1999 Sep; 8(9):1816-24. Beadle BM, McGovern SL, Patera A, Shoichet BK. PMID: 10493583; PMCID: PMC2144403.
      View in: PubMed   Mentions: 15     Fields:    Translation:Cells
    254. Structure-based discovery and in-parallel optimization of novel competitive inhibitors of thymidylate synthase. Chem Biol. 1999 May; 6(5):319-31. Tondi D, Slomczynska U, Costi MP, Watterson DM, Ghelli S, Shoichet BK. PMID: 10322126.
      View in: PubMed   Mentions: 9     Fields:    Translation:Cells
    255. Comparing the thermodynamic stabilities of a related thermophilic and mesophilic enzyme. Biochemistry. 1999 Feb 23; 38(8):2570-6. Beadle BM, Baase WA, Wilson DB, Gilkes NR, Shoichet BK. PMID: 10029552.
      View in: PubMed   Mentions: 15     Fields:    Translation:Cells
    256. Structure-based design of inhibitors specific for bacterial thymidylate synthase. Biochemistry. 1999 Feb 02; 38(5):1607-17. Stout TJ, Tondi D, Rinaldi M, Barlocco D, Pecorari P, Santi DV, Kuntz ID, Stroud RM, Shoichet BK, Costi MP. PMID: 9931028.
      View in: PubMed   Mentions: 13     Fields:    Translation:HumansCells
    257. Ligand solvation in molecular docking. Proteins. 1999 Jan 01; 34(1):4-16. Shoichet BK, Leach AR, Kuntz ID. PMID: 10336382.
      View in: PubMed   Mentions: 61     Fields:    Translation:Cells
    258. Three-dimensional structure of AmpC beta-lactamase from Escherichia coli bound to a transition-state analogue: possible implications for the oxyanion hypothesis and for inhibitor design. Biochemistry. 1998 Nov 17; 37(46):16082-92. Usher KC, Blaszczak LC, Weston GS, Shoichet BK, Remington SJ. PMID: 9819201.
      View in: PubMed   Mentions: 38     Fields:    Translation:Cells
    259. Structure-based enhancement of boronic acid-based inhibitors of AmpC beta-lactamase. J Med Chem. 1998 Nov 05; 41(23):4577-86. Weston GS, Blázquez J, Baquero F, Shoichet BK. PMID: 9804697.
      View in: PubMed   Mentions: 35     Fields:    Translation:Cells
    260. An extended-spectrum AmpC-type beta-lactamase obtained by in vitro antibiotic selection. FEMS Microbiol Lett. 1998 Aug 01; 165(1):85-90. Morosini MI, Negri MC, Shoichet B, Baquero MR, Baquero F, Blázquez J. PMID: 9711843.
      View in: PubMed   Mentions: 17     Fields:    Translation:Cells
    261. Flexible ligand docking using conformational ensembles. Protein Sci. 1998 Apr; 7(4):938-50. Lorber DM, Shoichet BK. PMID: 9568900; PMCID: PMC2143983.
      View in: PubMed   Mentions: 82     Fields:    Translation:Cells
    262. Molecular docking programs successfully predict the binding of a beta-lactamase inhibitory protein to TEM-1 beta-lactamase. Nat Struct Biol. 1996 Mar; 3(3):233-9. Strynadka NC, Eisenstein M, Katchalski-Katzir E, Shoichet BK, Kuntz ID, Abagyan R, Totrov M, Janin J, Cherfils J, Zimmerman F, Olson A, Duncan B, Rao M, Jackson R, Sternberg M, James MN. PMID: 8605624.
      View in: PubMed   Mentions: 21     Fields:    Translation:Cells
    263. Predicting the structure of protein complexes: a step in the right direction. Chem Biol. 1996 Mar; 3(3):151-6. Shoichet BK, Kuntz ID. PMID: 8807840.
      View in: PubMed   Mentions: 6     Fields:    Translation:Cells
    264. Enhancement of protein stability by the combination of point mutations in T4 lysozyme is additive. Protein Eng. 1995 Oct; 8(10):1017-22. Zhang XJ, Baase WA, Shoichet BK, Wilson KP, Matthews BW. PMID: 8771182.
      View in: PubMed   Mentions: 35     Fields:    Translation:Cells
    265. A relationship between protein stability and protein function. Proc Natl Acad Sci U S A. 1995 Jan 17; 92(2):452-6. Shoichet BK, Baase WA, Kuroki R, Matthews BW. PMID: 7831309; PMCID: PMC42758.
      View in: PubMed   Mentions: 226     Fields:    Translation:Cells
    266. Partial restoration of activity to Lactobacillus casei thymidylate synthase following inactivation by domain deletion. Biochemistry. 1994 May 10; 33(18):5623-9. Schellenberger U, Balaram P, Francis VS, Shoichet BK, Santi DV. PMID: 8180187.
      View in: PubMed   Mentions:    Fields:    Translation:Cells
    267. Matching chemistry and shape in molecular docking. Protein Eng. 1993 Sep; 6(7):723-32. Shoichet BK, Kuntz ID. PMID: 7504257.
      View in: PubMed   Mentions: 40     Fields:    Translation:Cells
    268. Structure-based discovery of inhibitors of thymidylate synthase. Science. 1993 Mar 05; 259(5100):1445-50. Shoichet BK, Stroud RM, Santi DV, Kuntz ID, Perry KM. PMID: 8451640.
      View in: PubMed   Mentions: 51     Fields:    Translation:Cells
    269. Protein docking and complementarity. J Mol Biol. 1991 Sep 05; 221(1):327-46. Shoichet BK, Kuntz ID. PMID: 1920412.
      View in: PubMed   Mentions: 45     Fields:    Translation:Cells
    270. Stereochemical modeling of disulfide bridges. Criteria for introduction into proteins by site-directed mutagenesis. Protein Eng. 1989 Nov; 3(2):95-103. Sowdhamini R, Srinivasan N, Shoichet B, Santi DV, Ramakrishnan C, Balaram P. PMID: 2594728.
      View in: PubMed   Mentions: 56     Fields:    Translation:Cells
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