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Tack Kuntz, PhD

Title(s)Professor, Pharmaceutical Chemistry
SchoolSchool of Pharmacy
Address600 16th St
San Francisco CA 94158
Phone415-476-1937
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    Collapse Research 
    Collapse Research Activities and Funding
    Structure Biology and Targeted Drug Design for AIDS
    NIH/NIGMS P01GM056531Sep 1, 1997 - Aug 31, 2007
    Role: Co-Investigator
    Molecular Biophysics Training Grant
    NIH/NIGMS T32GM008284Sep 30, 1988 - Jun 30, 2023
    Role: Principal Investigator
    STRUCTURAL BIOLOGY AND TARGETED DRUG DESIGN FOR AIDS
    NIH/NIGMS P01GM039552May 1, 1988 - Aug 31, 1997
    Role: Co-Investigator
    MOLECULAR &CELLULAR BIOPHYSICS STUDY
    NIH U09RG014287Jul 1, 1984 - Jun 30, 1991
    Role: Principal Investigator
    MOLECULAR STRUCTURE IN SOLUTION-A FEASIBILITY STUDY
    NIH R24RR001695Jun 1, 1984 - Nov 30, 1994
    Role: Principal Investigator
    THEORETICAL STUDIES OF MACROMOLECULES
    NIH R01GM031497Mar 1, 1983 - Jun 30, 2003
    Role: Principal Investigator
    MODELING PROTEIN SMALL MOLECULE INTERACTIONS
    NIH R01GM029072Feb 1, 1982 - Jan 31, 2005
    Role: Principal Investigator
    MACROMOLECULAR HYDRATION AND STRUCTURE
    NIH R01GM019267Dec 1, 1977 - Jan 31, 1992
    Role: Principal Investigator
    Resource for Biocomputing, Visualization, and Informatics
    NIH/NCRR P41RR001081Jun 1, 1976 - Sep 14, 2012
    Role: Co-Investigator

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    Collapse In The News

    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.
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    1. DOCK 6: Impact of new features and current docking performance. J Comput Chem. 2015 Jun 05; 36(15):1132-56. Allen WJ, Balius TE, Mukherjee S, Brozell SR, Moustakas DT, Lang PT, Case DA, Kuntz ID, Rizzo RC. PMID: 25914306.
      View in: PubMed   Mentions: 63     Fields:    Translation:Cells
    2. Darwinian docking. J Comput Aided Mol Des. 2012 Jan; 26(1):73-5. Kuntz ID. PMID: 22143893.
      View in: PubMed   Mentions:    Fields:    Translation:HumansCells
    3. DOCK 6: combining techniques to model RNA-small molecule complexes. RNA. 2009 Jun; 15(6):1219-30. Lang PT, Brozell SR, Mukherjee S, Pettersen EF, Meng EC, Thomas V, Rizzo RC, Case DA, James TL, Kuntz ID. PMID: 19369428.
      View in: PubMed   Mentions: 155     Fields:    Translation:Cells
    4. Computational investigation of kinetics of cross-linking reactions in proteins: importance in structure prediction. Biopolymers. 2009 Jan; 91(1):68-77. Bandyopadhyay P, Kuntz ID. PMID: 18781627.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    5. The collaboratory for MS3D: a new cyberinfrastructure for the structural elucidation of biological macromolecules and their assemblies using mass spectrometry-based approaches. J Proteome Res. 2008 Nov; 7(11):4848-57. Yu ET, Hawkins A, Kuntz ID, Rahn LA, Rothfuss A, Sale K, Young MM, Yang CL, Pancerella CM, Fabris D. PMID: 18817429.
      View in: PubMed   Mentions: 12     Fields:    Translation:HumansCells
    6. Partial acetylation of lysine residues improves intraprotein cross-linking. Anal Chem. 2008 Feb 15; 80(4):951-60. Guo X, Bandyopadhyay P, Schilling B, Young MM, Fujii N, Aynechi T, Guy RK, Kuntz ID, Gibson BW. PMID: 18201069.
      View in: PubMed   Mentions: 15     Fields:    Translation:Cells
    7. Development and validation of a modular, extensible docking program: DOCK 5. J Comput Aided Mol Des. 2006 Oct-Nov; 20(10-11):601-19. Moustakas DT, Lang PT, Pegg S, Pettersen E, Kuntz ID, Brooijmans N, Rizzo RC. PMID: 17149653.
      View in: PubMed   Mentions: 105     Fields:    Translation:Cells
    8. Rational design of a nonpeptide general chemical scaffold for reversible inhibition of PDZ domain interactions. Bioorg Med Chem Lett. 2007 Jan 15; 17(2):549-52. Fujii N, Haresco JJ, Novak KA, Gage RM, Pedemonte N, Stokoe D, Kuntz ID, Guy RK. PMID: 17055267.
      View in: PubMed   Mentions: 8     Fields:    Translation:HumansCells
    9. Proteomimetic libraries: design, synthesis, and evaluation of p53-MDM2 interaction inhibitors. J Comb Chem. 2006 May-Jun; 8(3):315-25. Lu F, Chi SW, Kim DH, Han KH, Kuntz ID, Guy RK. PMID: 16677000.
      View in: PubMed   Mentions: 19     Fields:    Translation:Cells
    10. Estimation of Absolute Free Energies of Hydration Using Continuum Methods:? Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions. J Chem Theory Comput. 2006 Jan; 2(1):128-39. Rizzo RC, Aynechi T, Case DA, Kuntz ID. PMID: 26626387.
      View in: PubMed   Mentions: 32     Fields:    
    11. Apolipoprotein (apo) E4 enhances amyloid beta peptide production in cultured neuronal cells: apoE structure as a potential therapeutic target. Proc Natl Acad Sci U S A. 2005 Dec 20; 102(51):18700-5. Ye S, Huang Y, Müllendorff K, Dong L, Giedt G, Meng EC, Cohen FE, Kuntz ID, Weisgraber KH, Mahley RW. PMID: 16344478.
      View in: PubMed   Mentions: 85     Fields:    Translation:HumansAnimalsCells
    12. An information theoretic approach to macromolecular modeling: II. Force fields. Biophys J. 2005 Nov; 89(5):3008-16. Aynechi T, Kuntz ID. PMID: 16254390.
      View in: PubMed   Mentions: 2     Fields:    Translation:Cells
    13. An information theoretic approach to macromolecular modeling: I. Sequence alignments. Biophys J. 2005 Nov; 89(5):2998-3007. Aynechi T, Kuntz ID. PMID: 16254389.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    14. Evaluating the high-throughput screening computations. J Biomol Screen. 2005 Oct; 10(7):649-52. Lang PT, Kuntz ID, Maggiora GM, Bajorath J. PMID: 16170047.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    15. Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA. J Med Chem. 2005 Apr 07; 48(7):2432-44. Wang J, Kang X, Kuntz ID, Kollman PA. PMID: 15801834.
      View in: PubMed   Mentions: 13     Fields:    Translation:Cells
    16. Photochemically knocking out glutamate receptors in vivo. J Am Chem Soc. 2004 Nov 03; 126(43):13886-7. Chambers JJ, Gouda H, Young DM, Kuntz ID, England PM. PMID: 15506725.
      View in: PubMed   Mentions: 11     Fields:    Translation:AnimalsCells
    17. SitePrint: three-dimensional pharmacophore descriptors derived from protein binding sites for family based active site analysis, classification, and drug design. J Chem Inf Comput Sci. 2004 Nov-Dec; 44(6):2190-8. Arnold JR, Burdick KW, Pegg SC, Toba S, Lamb ML, Kuntz ID. PMID: 15554689.
      View in: PubMed   Mentions: 2     Fields:    Translation:Cells
    18. Inhibition of Mycobacterium tuberculosis AhpD, an element of the peroxiredoxin defense against oxidative stress. Antimicrob Agents Chemother. 2004 Jul; 48(7):2424-30. Koshkin A, Zhou XT, Kraus CN, Brenner JM, Bandyopadhyay P, Kuntz ID, Barry CE, Ortiz de Montellano PR. PMID: 15215090.
      View in: PubMed   Mentions: 3     Fields:    Translation:AnimalsCells
    19. Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes. J Med Chem. 2004 Jul 01; 47(14):3572-9. Verras A, Kuntz ID, Ortiz de Montellano PR. PMID: 15214784.
      View in: PubMed   Mentions: 14     Fields:    
    20. Distributions in protein conformation space: implications for structure prediction and entropy. Biophys J. 2004 Jul; 87(1):113-20. Sullivan DC, Kuntz ID. PMID: 15240450.
      View in: PubMed   Mentions: 6     Fields:    Translation:Cells
    21. A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics simulations. J Med Chem. 2004 Jun 03; 47(12):3065-74. Rizzo RC, Toba S, Kuntz ID. PMID: 15163188.
      View in: PubMed   Mentions: 7     Fields:    Translation:Cells
    22. Calculation of ligand-nucleic acid binding free energies with the generalized-born model in DOCK. Biopolymers. 2004 Feb 05; 73(2):192-204. Kang X, Shafer RH, Kuntz ID. PMID: 14755577.
      View in: PubMed   Mentions: 9     Fields:    Translation:Cells
    23. Investigation of neuraminidase-substrate recognition using molecular dynamics and free energy calculations. J Med Chem. 2003 Dec 18; 46(26):5628-37. Masukawa KM, Kollman PA, Kuntz ID. PMID: 14667217.
      View in: PubMed   Mentions: 27     Fields:    Translation:Cells
    24. A selective irreversible inhibitor targeting a PDZ protein interaction domain. J Am Chem Soc. 2003 Oct 08; 125(40):12074-5. Fujii N, Haresco JJ, Novak KA, Stokoe D, Kuntz ID, Guy RK. PMID: 14518976.
      View in: PubMed   Mentions: 13     Fields:    Translation:HumansCells
    25. Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9. J Comput Chem. 2003 Sep; 24(12):1371-7. Chong LT, Bandyopadhyay P, Scanlan TS, Kuntz ID, Kollman PA. PMID: 12868101.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    26. Information content of molecular structures. Biophys J. 2003 Jul; 85(1):174-90. Sullivan DC, Aynechi T, Voelz VA, Kuntz ID. PMID: 12829474.
      View in: PubMed   Mentions: 5     Fields:    Translation:Cells
    27. Molecular recognition and docking algorithms. Annu Rev Biophys Biomol Struct. 2003; 32:335-73. Brooijmans N, Kuntz ID. PMID: 12574069.
      View in: PubMed   Mentions: 109     Fields:    Translation:Cells
    28. Free energy calculations for theophylline binding to an RNA aptamer: Comparison of MM-PBSA and thermodynamic integration methods. Biopolymers. 2003 Jan; 68(1):16-34. Gouda H, Kuntz ID, Case DA, Kollman PA. PMID: 12579577.
      View in: PubMed   Mentions: 34     Fields:    Translation:Cells
    29. Assessment of the role of computations in structural biology. Adv Protein Chem. 2003; 66:1-25. Kuntz ID, Agard DA. PMID: 14631815.
      View in: PubMed   Mentions: 2     Fields:    Translation:HumansCells
    30. Principles and methods of docking and ligand design. Methods Biochem Anal. 2003; 44:443-76. Krumrine J, Raubacher F, Brooijmans N, Kuntz I. PMID: 12647399.
      View in: PubMed   Mentions: 5     Fields:    Translation:Cells
    31. A novel mechanism for inhibition of HIV-1 reverse transcriptase. Bioorg Chem. 2002 Dec; 30(6):443-58. Skillman AG, Maurer KW, Roe DC, Stauber MJ, Eargle D, Ewing TJ, Muscate A, Davioud-Charvet E, Medaglia MV, Fisher RJ, Arnold E, Gao HQ, Buckheit R, Boyer PL, Hughes SH, Kuntz ID, Kenyon GL. PMID: 12642128.
      View in: PubMed   Mentions: 8     Fields:    Translation:HumansCells
    32. Small molecule affinity fingerprinting. A tool for enzyme family subclassification, target identification, and inhibitor design. Chem Biol. 2002 Oct; 9(10):1085-94. Greenbaum DC, Arnold WD, Lu F, Hayrapetian L, Baruch A, Krumrine J, Toba S, Chehade K, Brömme D, Kuntz ID, Bogyo M. PMID: 12401493.
      View in: PubMed   Mentions: 34     Fields:    Translation:AnimalsCells
    33. Stability of macromolecular complexes. Proteins. 2002 Sep 01; 48(4):645-53. Brooijmans N, Sharp KA, Kuntz ID. PMID: 12211032.
      View in: PubMed   Mentions: 19     Fields:    Translation:AnimalsCells
    34. Computer-assisted mutagenesis of ecotin to engineer its secondary binding site for urokinase inhibition. J Biol Chem. 2002 Jul 19; 277(29):26623-31. Laboissière MC, Young MM, Pinho RG, Todd S, Fletterick RJ, Kuntz I, Craik CS. PMID: 11959867.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    35. Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design. J Med Chem. 2002 Mar 28; 45(7):1412-9. Huo S, Wang J, Cieplak P, Kollman PA, Kuntz ID. PMID: 11906282.
      View in: PubMed   Mentions: 38     Fields:    Translation:HumansCells
    36. A genetic algorithm for structure-based de novo design. J Comput Aided Mol Des. 2001 Oct; 15(10):911-33. Pegg SC, Haresco JJ, Kuntz ID. PMID: 11918076.
      View in: PubMed   Mentions: 9     Fields:    Translation:Cells
    37. Virtual screening of combinatorial libraries across a gene family: in search of inhibitors of Giardia lamblia guanine phosphoribosyltransferase. Antimicrob Agents Chemother. 2001 Sep; 45(9):2571-6. Aronov AM, Munagala NR, Kuntz ID, Wang CC. PMID: 11502531.
      View in: PubMed   Mentions: 3     Fields:    Translation:AnimalsCells
    38. Definition of the extended substrate specificity determinants for beta-tryptases I and II. J Biol Chem. 2001 Sep 14; 276(37):34941-7. Harris JL, Niles A, Burdick K, Maffitt M, Backes BJ, Ellman JA, Kuntz I, Haak-Frendscho M, Craik CS. PMID: 11438529.
      View in: PubMed   Mentions: 10     Fields:    Translation:HumansAnimals
    39. DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases. J Comput Aided Mol Des. 2001 May; 15(5):411-28. Ewing TJ, Makino S, Skillman AG, Kuntz ID. PMID: 11394736.
      View in: PubMed   Mentions: 237     Fields:    Translation:Cells
    40. Conformation spaces of proteins. Proteins. 2001 Mar 01; 42(4):495-511. Sullivan DC, Kuntz ID. PMID: 11170204.
      View in: PubMed   Mentions: 10     Fields:    Translation:Cells
    41. Design, docking, and evaluation of multiple libraries against multiple targets. Proteins. 2001 Feb 15; 42(3):296-318. Lamb ML, Burdick KW, Toba S, Young MM, Skillman AG, Zou X, Arnold JR, Kuntz ID. PMID: 11151003.
      View in: PubMed   Mentions: 9     Fields:    Translation:AnimalsCells
    42. High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry. Proc Natl Acad Sci U S A. 2000 May 23; 97(11):5802-6. Young MM, Tang N, Hempel JC, Oshiro CM, Taylor EW, Kuntz ID, Gibson BW, Dollinger G. PMID: 10811876.
      View in: PubMed   Mentions: 124     Fields:    Translation:AnimalsCells
    43. Rational design of selective submicromolar inhibitors of Tritrichomonas foetus hypoxanthine-guanine-xanthine phosphoribosyltransferase. Biochemistry. 2000 Apr 25; 39(16):4684-91. Aronov AM, Munagala NR, Ortiz De Montellano PR, Kuntz ID, Wang CC. PMID: 10769124.
      View in: PubMed   Mentions: 3     Fields:    Translation:HumansAnimalsCells
    44. Inhibitors of kinesin activity from structure-based computer screening. Biochemistry. 2000 Mar 14; 39(10):2805-14. Hopkins SC, Vale RD, Kuntz ID. PMID: 10704233.
      View in: PubMed   Mentions: 11     Fields:    Translation:HumansCells
    45. DREAM++: flexible docking program for virtual combinatorial libraries. J Comput Aided Mol Des. 1999 Sep; 13(5):513-32. Makino S, Ewing TJ, Kuntz ID. PMID: 10483532.
      View in: PubMed   Mentions: 9     Fields:    Translation:Cells
    46. The maximal affinity of ligands. Proc Natl Acad Sci U S A. 1999 Aug 31; 96(18):9997-10002. Kuntz ID, Chen K, Sharp KA, Kollman PA. PMID: 10468550.
      View in: PubMed   Mentions: 154     Fields:    Translation:Cells
    47. Flexible ligand docking: a multistep strategy approach. Proteins. 1999 Jul 01; 36(1):1-19. Wang J, Kollman PA, Kuntz ID. PMID: 10373002.
      View in: PubMed   Mentions: 18     Fields:    Translation:Cells
    48. Macromolecular docking of a three-body system: the recognition of human growth hormone by its receptor. Protein Sci. 1999 May; 8(5):1010-22. Hendrix DK, Klein TE, Kuntz ID, Klien TE. PMID: 10338012.
      View in: PubMed   Mentions: 2     Fields:    Translation:HumansCells
    49. A rapid method for exploring the protein structure universe. Proteins. 1999 Feb 15; 34(3):317-32. Young MM, Skillman AG, Kuntz ID. PMID: 10024019.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    50. 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: 11     Fields:    Translation:HumansCells
    51. CombiDOCK: structure-based combinatorial docking and library design. J Comput Aided Mol Des. 1998 Nov; 12(6):597-604. Sun Y, Ewing TJ, Skillman AG, Kuntz ID. PMID: 9879507.
      View in: PubMed   Mentions: 11     Fields:    Translation:Cells
    52. Rational design of novel antimicrobials: blocking purine salvage in a parasitic protozoan. Biochemistry. 1998 Apr 21; 37(16):5344-8. Somoza JR, Skillman AG, Munagala NR, Oshiro CM, Knegtel RM, Mpoke S, Fletterick RJ, Kuntz ID, Wang CC. PMID: 9548915.
      View in: PubMed   Mentions: 3     Fields:    Translation:HumansAnimalsCells
    53. Characterization of receptors with a new negative image: use in molecular docking and lead optimization. Proteins. 1998 Feb 15; 30(3):321-36. Oshiro CM, Kuntz ID. PMID: 9517547.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    54. Surface solid angle-based site points for molecular docking. Pac Symp Biocomput. 1998; 317-26. Hendrix DK, Kuntz ID. PMID: 9697192.
      View in: PubMed   Mentions: 5     Fields:    Translation:Cells
    55. Leishmania major: molecular modeling of cysteine proteases and prediction of new nonpeptide inhibitors. Exp Parasitol. 1997 Nov; 87(3):212-21. Selzer PM, Chen X, Chan VJ, Cheng M, Kenyon GL, Kuntz ID, Sakanari JA, Cohen FE, McKerrow JH. PMID: 9371086.
      View in: PubMed   Mentions: 18     Fields:    Translation:AnimalsCells
    56. Alkylation of a catalytic aspartate group of the SIV protease by an epoxide inhibitor. Bioorg Med Chem. 1997 Nov; 5(11):2019-27. Caldera PS, Yu Z, Knegtel RM, McPhee F, Burlingame AL, Craik CS, Kuntz ID, Ortiz de Montellano PR. PMID: 9416419.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    57. Structure-based identification of an inducer of the low-pH conformational change in the influenza virus hemagglutinin: irreversible inhibition of infectivity. J Virol. 1997 Nov; 71(11):8808-20. Hoffman LR, Kuntz ID, White JM. PMID: 9343241.
      View in: PubMed   Mentions: 36     Fields:    Translation:Cells
    58. Structure-based discovery of ligands targeted to the RNA double helix. Biochemistry. 1997 Sep 23; 36(38):11402-7. Chen Q, Shafer RH, Kuntz ID. PMID: 9298959.
      View in: PubMed   Mentions: 14     Fields:    Translation:Cells
    59. Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase. Proteins. 1997 Sep; 29(1):59-67. Gschwend DA, Sirawaraporn W, Santi DV, Kuntz ID. PMID: 9294866.
      View in: PubMed   Mentions: 2     Fields:    Translation:Animals
    60. Molecular docking to ensembles of protein structures. J Mol Biol. 1997 Feb 21; 266(2):424-40. Knegtel RM, Kuntz ID, Oshiro CM. PMID: 9047373.
      View in: PubMed   Mentions: 73     Fields:    Translation:Cells
    61. Bile pigments as HIV-1 protease inhibitors and their effects on HIV-1 viral maturation and infectivity in vitro. Biochem J. 1996 Dec 01; 320 ( Pt 2):681-6. McPhee F, Caldera PS, Bemis GW, McDonagh AF, Kuntz ID, Craik CS. PMID: 8973584.
      View in: PubMed   Mentions: 13     Fields:    Translation:HumansCells
    62. Engineering human immunodeficiency virus 1 protease heterodimers as macromolecular inhibitors of viral maturation. Proc Natl Acad Sci U S A. 1996 Oct 15; 93(21):11477-81. McPhee F, Good AC, Kuntz ID, Craik CS. PMID: 8876160.
      View in: PubMed   Mentions: 10     Fields:    Translation:HumansAnimalsCells
    63. Spectroscopic recognition of guanine dimeric hairpin quadruplexes by a carbocyanine dye. Proc Natl Acad Sci U S A. 1996 Apr 02; 93(7):2635-9. Chen Q, Kuntz ID, Shafer RH. PMID: 8610093.
      View in: PubMed   Mentions: 18     Fields:    Translation:Cells
    64. Orientational sampling and rigid-body minimization in molecular docking revisited: on-the-fly optimization and degeneracy removal. J Comput Aided Mol Des. 1996 Apr; 10(2):123-32. Gschwend DA, Kuntz ID. PMID: 8741016.
      View in: PubMed   Mentions: 13     Fields:    Translation:Cells
    65. Molecular docking towards drug discovery. J Mol Recognit. 1996 Mar-Apr; 9(2):175-86. Gschwend DA, Good AC, Kuntz ID. PMID: 8877811.
      View in: PubMed   Mentions: 30     Fields:    Translation:HumansAnimals
    66. Conformational switching in designed peptides: the helix/sheet transition. Fold Des. 1996; 1(2):91-101. Cerpa R, Cohen FE, Kuntz ID. PMID: 9079369.
      View in: PubMed   Mentions: 14     Fields:    Translation:Cells
    67. Solution structure of the GTPase activating domain of alpha s. J Mol Biol. 1995 Dec 08; 254(4):681-91. Benjamin DR, Markby DW, Bourne HR, Kuntz ID. PMID: 7500342.
      View in: PubMed   Mentions: 6     Fields:    Translation:Cells
    68. Modeled structure of the 75-kDa neurotrophin receptor. Protein Sci. 1995 Sep; 4(9):1696-707. Chapman BS, Kuntz ID. PMID: 8528068.
      View in: PubMed   Mentions: 6     Fields:    Translation:HumansAnimalsCells
    69. Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors. J Comput Aided Mol Des. 1995 Aug; 9(4):373-9. Good AC, Kuntz ID. PMID: 8523046.
      View in: PubMed   Mentions: 5     Fields:    Translation:Cells
    70. BUILDER v.2: improving the chemistry of a de novo design strategy. J Comput Aided Mol Des. 1995 Jun; 9(3):269-82. Roe DC, Kuntz ID. PMID: 7561978.
      View in: PubMed   Mentions: 13     Fields:    Translation:Cells
    71. Flexible ligand docking using a genetic algorithm. J Comput Aided Mol Des. 1995 Apr; 9(2):113-30. Oshiro CM, Kuntz ID, Dixon JS. PMID: 7608743.
      View in: PubMed   Mentions: 40     Fields:    Translation:Cells
    72. New molecular shape descriptors: application in database screening. J Comput Aided Mol Des. 1995 Feb; 9(1):1-12. Good AC, Ewing TJ, Gschwend DA, Kuntz ID. PMID: 7751866.
      View in: PubMed   Mentions: 4     Fields:    Translation:Cells
    73. Complete 1H, 13C, and 15N assignments and secondary structure of the GTPase activating domain of Gs. Biochemistry. 1995 Jan 10; 34(1):155-62. Benjamin DR, Markby DW, Bourne HR, Kuntz ID. PMID: 7819191.
      View in: PubMed   Mentions: 2     Fields:    Translation:Cells
    74. Finding potential DNA-binding compounds by using molecular shape. J Comput Aided Mol Des. 1994 Dec; 8(6):731-50. Grootenhuis PD, Roe DC, Kollman PA, Kuntz ID. PMID: 7738607.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    75. Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities. J Comput Aided Mol Des. 1994 Jun; 8(3):299-306. Meng EC, Kuntz ID, Abraham DJ, Kellogg GE. PMID: 7964929.
      View in: PubMed   Mentions: 10     Fields:    Translation:Cells
    76. Mutational and secondary structural analysis of the basolateral sorting signal of the polymeric immunoglobulin receptor. J Cell Biol. 1993 Dec; 123(5):1149-60. Aroeti B, Kosen PA, Kuntz ID, Cohen FE, Mostov KE. PMID: 8245123.
      View in: PubMed   Mentions: 42     Fields:    Translation:AnimalsCells
    77. Orientational sampling and rigid-body minimization in molecular docking. Proteins. 1993 Nov; 17(3):266-78. Meng EC, Gschwend DA, Blaney JM, Kuntz ID. PMID: 8272425.
      View in: PubMed   Mentions: 20     Fields:    
    78. 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: 36     Fields:    Translation:Cells
    79. Novel heteronuclear methods of assignment transfer from a diamagnetic to a paramagnetic protein: application to rat cytochrome b5. Biochemistry. 1993 Aug 17; 32(32):8329-40. Guiles RD, Basus VJ, Sarma S, Malpure S, Fox KM, Kuntz ID, Waskell L. PMID: 8347629.
      View in: PubMed   Mentions: 9     Fields:    Translation:AnimalsCells
    80. Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design. J Biol Chem. 1993 Jul 25; 268(21):15343-6. Rutenber E, Fauman EB, Keenan RJ, Fong S, Furth PS, Ortiz de Montellano PR, Meng E, Kuntz ID, DeCamp DL, Salto R. PMID: 8340363.
      View in: PubMed   Mentions: 17     Fields:    Translation:Cells
    81. Structure-based inhibitor design by using protein models for the development of antiparasitic agents. Proc Natl Acad Sci U S A. 1993 Apr 15; 90(8):3583-7. Ring CS, Sun E, McKerrow JH, Lee GK, Rosenthal PJ, Kuntz ID, Cohen FE. PMID: 8475107.
      View in: PubMed   Mentions: 42     Fields:    Translation:AnimalsCells
    82. Inhibition of the fusion-inducing conformational change of influenza hemagglutinin by benzoquinones and hydroquinones. Biochemistry. 1993 Mar 30; 32(12):2967-78. Bodian DL, Yamasaki RB, Buswell RL, Stearns JF, White JM, Kuntz ID. PMID: 8457561.
      View in: PubMed   Mentions: 42     Fields:    Translation:Cells
    83. 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: 44     Fields:    Translation:Cells
    84. A fast and efficient method for 2D and 3D molecular shape description. J Comput Aided Mol Des. 1992 Dec; 6(6):607-28. Bemis GW, Kuntz ID. PMID: 1291629.
      View in: PubMed   Mentions: 10     Fields:    Translation:Cells
    85. Sequence-specific 1H and 15N resonance assignments for both equilibrium forms of the soluble heme binding domain of rat ferrocytochrome b5. Biochemistry. 1992 Nov 24; 31(46):11365-75. Guiles RD, Basus VJ, Kuntz ID, Waskell L. PMID: 1332756.
      View in: PubMed   Mentions: 4     Fields:    Translation:Animals
    86. Structure-based strategies for drug design and discovery. Science. 1992 Aug 21; 257(5073):1078-82. Kuntz ID. PMID: 1509259.
      View in: PubMed   Mentions: 139     Fields:    Translation:Cells
    87. Disulfide bond-coupled folding of bovine pancreatic trypsin inhibitor derivatives missing one or two disulfide bonds. Biochemistry. 1992 Jun 30; 31(25):5705-17. Kosen PA, Marks CB, Falick AM, Anderson S, Kuntz ID. PMID: 1377024.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    88. Automated site-directed drug design using molecular lattices. J Mol Graph. 1992 Jun; 10(2):66-78, 106. Lewis RA, Roe DC, Huang C, Ferrin TE, Langridge R, Kuntz ID. PMID: 1637751.
      View in: PubMed   Mentions: 21     Fields:    
    89. Comparison of solution structures of mutant bovine pancreatic trypsin inhibitor proteins using two-dimensional nuclear magnetic resonance. Protein Sci. 1992 Jan; 1(1):91-106. Hurle MR, Eads CD, Pearlman DA, Seibel GL, Thomason J, Kosen PA, Kollman P, Anderson S, Kuntz ID. PMID: 1284804.
      View in: PubMed   Mentions: 5     Fields:    Translation:AnimalsCells
    90. Protein docking and complementarity. J Mol Biol. 1991 Sep 05; 221(1):327-46. Shoichet BK, Kuntz ID. PMID: 1920412.
      View in: PubMed   Mentions: 40     Fields:    Translation:Cells
    91. A molecular dynamics simulation of polyalanine: an analysis of equilibrium motions and helix-coil transitions. Biopolymers. 1991 Aug; 31(9):1115-34. Daggett V, Kollman PA, Kuntz ID. PMID: 1786342.
      View in: PubMed   Mentions: 22     Fields:    Translation:Cells
    92. Intracellular expression of BPTI fusion proteins and single column cleavage/affinity purification by chymotrypsin. Protein Eng. 1991 Jun; 4(5):593-600. Altman JD, Henner D, Nilsson B, Anderson S, Kuntz ID. PMID: 1716367.
      View in: PubMed   Mentions: 6     Fields:    Translation:Cells
    93. Confirmation of the predicted source of a slow folding reaction: proline 8 of bovine pancreatic trypsin inhibitor. Protein Eng. 1991 Apr; 4(4):451-5. Hurle MR, Anderson S, Kuntz ID. PMID: 1881870.
      View in: PubMed   Mentions:    Fields:    Translation:AnimalsCells
    94. Molecular dynamics simulations of small peptides: dependence on dielectric model and pH. Biopolymers. 1991 Feb 15; 31(3):285-304. Daggett V, Kollman PA, Kuntz ID. PMID: 1868159.
      View in: PubMed   Mentions: 12     Fields:    Translation:Cells
    95. Structure-based inhibition of HIV-1 protease activity and viral infectivity. Adv Exp Med Biol. 1991; 306:489-92. DeCamp DL, Babé LM, Furth P, Ortiz de Montellano P, Kuntz ID, Craik CS. PMID: 1812747.
      View in: PubMed   Mentions:    Fields:    Translation:HumansCells
    96. Studies of synthetic helical peptides using circular dichroism and nuclear magnetic resonance. J Mol Biol. 1990 Oct 20; 215(4):607-22. Bradley EK, Thomason JF, Cohen FE, Kosen PA, Kuntz ID. PMID: 2231722.
      View in: PubMed   Mentions: 28     Fields:    Translation:Cells
    97. Removal of a proteolytic activity associated with aggregates formed from expression of creatine kinase in Escherichia coli leads to improved recovery of active enzyme. Biotechnology (N Y). 1990 Oct; 8(10):945-9. Babbitt PC, West BL, Buechter DD, Kuntz ID, Kenyon GL. PMID: 1370005.
      View in: PubMed   Mentions: 6     Fields:    Translation:AnimalsCells
    98. Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease. Proc Natl Acad Sci U S A. 1990 Sep; 87(17):6644-8. DesJarlais RL, Seibel GL, Kuntz ID, Furth PS, Alvarez JC, Ortiz de Montellano PR, DeCamp DL, Babé LM, Craik CS. PMID: 2204060.
      View in: PubMed   Mentions: 39     Fields:    Translation:AnimalsCells
    99. Computerized selection of potential DNA binding compounds. Anticancer Drug Des. 1990 Aug; 5(3):237-42. Grootenhuis PD, Kollman PA, Seibel GL, DesJarlais RL, Kuntz ID. PMID: 2169249.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    100. Denaturant-dependent folding of bovine pancreatic trypsin inhibitor mutants with two intact disulfide bonds. Biochemistry. 1990 May 08; 29(18):4410-9. Hurle MR, Marks CB, Kosen PA, Anderson S, Kuntz ID. PMID: 1693524.
      View in: PubMed   Mentions: 7     Fields:    Translation:AnimalsCells
    101. Structural studies of cytochrome b5: complete sequence-specific resonance assignments for the trypsin-solubilized microsomal ferrocytochrome b5 obtained from pig and calf. Biochemistry. 1990 Feb 06; 29(5):1276-89. Guiles RD, Altman J, Kuntz ID, Waskell L, Lipka JJ. PMID: 2322562.
      View in: PubMed   Mentions: 4     Fields:    Translation:AnimalsCells
    102. Identification by proton nuclear magnetic resonance of the histidines in cytochrome b5 modified by diethyl pyrocarbonate. Biochemistry. 1989 Sep 19; 28(19):7516-23. Altman J, Lipka JJ, Kuntz I, Waskell L. PMID: 2558710.
      View in: PubMed   Mentions: 4     Fields:    Translation:AnimalsCells
    103. Protein structure predictions: new theoretical approaches. Prog Clin Biol Res. 1989; 289:75-85. Cohen FE, Gregoret L, Presnell SR, Kuntz ID. PMID: 2657754.
      View in: PubMed   Mentions: 2     Fields:    Translation:HumansAnimalsCells
    104. Structural studies of alpha-bungarotoxin. 1. Sequence-specific 1H NMR resonance assignments. Biochemistry. 1988 Apr 19; 27(8):2763-71. Basus VJ, Billeter M, Love RA, Stroud RM, Kuntz ID. PMID: 3401447.
      View in: PubMed   Mentions: 7     Fields:    Translation:Cells
    105. Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure. J Med Chem. 1988 Apr; 31(4):722-9. DesJarlais RL, Sheridan RP, Seibel GL, Dixon JS, Kuntz ID, Venkataraghavan R. PMID: 3127588.
      View in: PubMed   Mentions: 75     Fields:    Translation:Cells
    106. Protein-ligand dynamics. A 96 picosecond simulation of a myoglobin-xenon complex. J Mol Biol. 1988 Jan 05; 199(1):195-211. Tilton RF, Singh UC, Kuntz ID, Kollman PA. PMID: 3351919.
      View in: PubMed   Mentions: 10     Fields:    Translation:Cells
    107. Macromolecular structure in solution. Protein Eng. 1987 Jun; 1(3):147-8. Kuntz ID. PMID: 3507700.
      View in: PubMed   Mentions:    Fields:    Translation:Cells
    108. Thermal expansion of a protein. Biochemistry. 1987 Jan 13; 26(1):254-61. Frauenfelder H, Hartmann H, Karplus M, Kuntz ID, Kuriyan J, Parak F, Petsko GA, Ringe D, Tilton RF, Connolly ML. PMID: 3828301.
      View in: PubMed   Mentions: 42     Fields:    Translation:AnimalsCells
    109. Prediction of the three-dimensional structure of human growth hormone. Proteins. 1987; 2(2):162-6. Cohen FE, Kuntz ID. PMID: 3447173.
      View in: PubMed   Mentions: 4     Fields:    Translation:HumansCells
    110. Computational studies of the interaction of myoglobin and xenon. J Mol Biol. 1986 Nov 20; 192(2):443-56. Tilton RF, Singh UC, Weiner SJ, Connolly ML, Kuntz ID, Kollman PA, Max N, Case DA. PMID: 3560222.
      View in: PubMed   Mentions: 14     Fields:    Translation:Cells
    111. Cavities in proteins: structure of a metmyoglobin-xenon complex solved to 1.9 A. Biochemistry. 1984 Jun 19; 23(13):2849-57. Tilton RF, Kuntz ID, Petsko GA. PMID: 6466620.
      View in: PubMed   Mentions: 106     Fields:    Translation:AnimalsCells
    112. Nuclear magnetic resonance studies of xenon-129 with myoglobin and hemoglobin. Biochemistry. 1982 Dec 21; 21(26):6850-7. Tilton RF, Kuntz ID. PMID: 7159568.
      View in: PubMed   Mentions: 24     Fields:    Translation:HumansAnimals
    113. Hydration of proteins and polypeptides. Adv Protein Chem. 1974; 28:239-345. Kuntz ID, Kauzmann W. PMID: 4598824.
      View in: PubMed   Mentions: 126     Fields:    Translation:Cells
    114. Hydration of macromolecules. II. Effects of urea on protein hydration. Arch Biochem Biophys. 1971 Feb; 142(2):660-4. Kuntz ID, Brassfield TS. PMID: 5550166.
      View in: PubMed   Mentions: 5     Fields:    Translation:Cells
    115. Hydration of macromolecules. Science. 1969 Mar 21; 163(3873):1329-31. Kuntz ID, Brassfield TS, Law GD, Purcell GV. PMID: 5765111.
      View in: PubMed   Mentions: 39     Fields:    Translation:Cells
    116. ABSORPTION CHANGES IN BACTERIAL CHROMATOPHORES. Biophys J. 1964 May; 4:227-49. KUNTZ ID, LOACH PA, CALVIN M. PMID: 14185583.
      View in: PubMed   Mentions: 11     Fields:    Translation:Cells
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