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Ann Jain, PhD

Title(s)Specialist, HDF Comprehensive Cancer Ctr
SchoolSchool of Medicine
Address1450 Third St
San Francisco CA 94158
Phone415-514-3302
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    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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    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. Electrostatic-field and surface-shape similarity for virtual screening and pose prediction. J Comput Aided Mol Des. 2019 10; 33(10):865-886. Cleves AE, Johnson SR, Jain AN. PMID: 31650386.
      View in: PubMed   Mentions:    Fields:    Translation:HumansCells
    2. Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen. J Comput Aided Mol Des. 2019 06; 33(6):531-558. Jain AN, Cleves AE, Gao Q, Wang X, Liu Y, Sherer EC, Reibarkh MY. PMID: 31054028.
      View in: PubMed   Mentions: 2     Fields:    Translation:Cells
    3. Quantitative surface field analysis: learning causal models to predict ligand binding affinity and pose. J Comput Aided Mol Des. 2018 07; 32(7):731-757. Cleves AE, Jain AN. PMID: 29934750.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    4. ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs. J Comput Aided Mol Des. 2017 May; 31(5):419-439. Cleves AE, Jain AN. PMID: 28289981.
      View in: PubMed   Mentions: 7     Fields:    Translation:HumansCells
    5. Extrapolative prediction using physically-based QSAR. J Comput Aided Mol Des. 2016 Feb; 30(2):127-52. Cleves AE, Jain AN. PMID: 26860112.
      View in: PubMed   Mentions: 1     Fields:    Translation:Cells
    6. Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock. J Comput Aided Mol Des. 2015 Jun; 29(6):485-509. Cleves AE, Jain AN. PMID: 25940276.
      View in: PubMed   Mentions: 13     Fields:    Translation:Cells
    7. Chemical and protein structural basis for biological crosstalk between PPARa and COX enzymes. J Comput Aided Mol Des. 2015 Feb; 29(2):101-12. Cleves AE, Jain AN. PMID: 25428568.
      View in: PubMed   Mentions: 4     Fields:    Translation:HumansCells
    8. Prediction of off-target drug effects through data fusion. Pac Symp Biocomput. 2014; 160-71. Yera ER, Cleves AE, Jain AN. PMID: 24297543.
      View in: PubMed   Mentions: 4     Fields:    Translation:HumansCells
    9. Protein function annotation by local binding site surface similarity. Proteins. 2014 Apr; 82(4):679-94. Spitzer R, Cleves AE, Varela R, Jain AN. PMID: 24166661.
      View in: PubMed   Mentions: 3     Fields:    Translation:Cells
    10. A structure-guided approach for protein pocket modeling and affinity prediction. J Comput Aided Mol Des. 2013 Nov; 27(11):917-34. Varela R, Cleves AE, Spitzer R, Jain AN. PMID: 24214361.
      View in: PubMed   Mentions: 3     Fields:    Translation:HumansCells
    11. Does your model weigh the same as a duck? J Comput Aided Mol Des. 2012 Jan; 26(1):57-67. Jain AN, Cleves AE. PMID: 22187141.
      View in: PubMed   Mentions: 7     Fields:    Translation:HumansCells
    12. Chemical structural novelty: on-targets and off-targets. J Med Chem. 2011 Oct 13; 54(19):6771-85. Yera ER, Cleves AE, Jain AN. PMID: 21916467.
      View in: PubMed   Mentions: 20     Fields:    Translation:Cells
    13. Surface-based protein binding pocket similarity. Proteins. 2011 Sep; 79(9):2746-63. Spitzer R, Cleves AE, Jain AN. PMID: 21769944.
      View in: PubMed   Mentions: 13     Fields:    Translation:HumansCells
    14. Physical binding pocket induction for affinity prediction. J Med Chem. 2009 Oct 08; 52(19):6107-25. Langham JJ, Cleves AE, Spitzer R, Kirshner D, Jain AN. PMID: 19754201.
      View in: PubMed   Mentions: 8     Fields:    Translation:Cells
    15. Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery. J Comput Aided Mol Des. 2008 Mar-Apr; 22(3-4):147-59. Cleves AE, Jain AN. PMID: 18074107.
      View in: PubMed   Mentions: 16     Fields:    Translation:Cells
    16. Robust ligand-based modeling of the biological targets of known drugs. J Med Chem. 2006 May 18; 49(10):2921-38. Cleves AE, Jain AN. PMID: 16686535.
      View in: PubMed   Mentions: 28     Fields:    
    17. ATP-dependent formation of free synaptic vesicles from PC12 membranes in vitro. Neurochem Res. 1997 Aug; 22(8):933-40. Cleves AE, Clift-O'Grady L, Kelly RB. PMID: 9239748.
      View in: PubMed   Mentions:    Fields:    Translation:AnimalsCells
    18. Protein transports: the nonclassical ins and outs. Curr Biol. 1997 May 01; 7(5):R318-20. Cleves AE. PMID: 9115389.
      View in: PubMed   Mentions: 17     Fields:    Translation:AnimalsCells
    19. A new pathway for protein export in Saccharomyces cerevisiae. J Cell Biol. 1996 Jun; 133(5):1017-26. Cleves AE, Cooper DN, Barondes SH, Kelly RB. PMID: 8655575.
      View in: PubMed   Mentions: 55     Fields:    Translation:AnimalsCells
    20. Rehearsing the ABCs. Protein translocation. Curr Biol. 1996 Mar 01; 6(3):276-8. Cleves AE, Kelly RB. PMID: 8805237.
      View in: PubMed   Mentions: 3     Fields:    Translation:HumansAnimalsCells
    21. SAC1p is an integral membrane protein that influences the cellular requirement for phospholipid transfer protein function and inositol in yeast. J Cell Biol. 1993 Jul; 122(1):79-94. Whitters EA, Cleves AE, McGee TP, Skinner HB, Bankaitis VA. PMID: 8314848.
      View in: PubMed   Mentions: 66     Fields:    Translation:AnimalsCells
    22. Biogenesis of synaptic vesicles. J Cell Sci Suppl. 1993; 17:81-3. Kelly RB, Bonzelius F, Cleves A, Clift-O'Grady L, Grote E, Herman G. PMID: 7511619.
      View in: PubMed   Mentions: 1     Fields:    Translation:AnimalsCells
    23. Secretory pathway function in Saccharomyces cerevisiae. Adv Microb Physiol. 1992; 33:73-144. Cleves AE, Bankaitis VA. PMID: 1636512.
      View in: PubMed   Mentions: 5     Fields:    Translation:AnimalsCells
    24. Phospholipid transfer proteins: a biological debut. Trends Cell Biol. 1991 Jul; 1(1):30-4. Cleves A, McGee T, Bankaitis V. PMID: 14731807.
      View in: PubMed   Mentions: 44     Fields:    
    25. Mutations in the CDP-choline pathway for phospholipid biosynthesis bypass the requirement for an essential phospholipid transfer protein. Cell. 1991 Feb 22; 64(4):789-800. Cleves AE, McGee TP, Whitters EA, Champion KM, Aitken JR, Dowhan W, Goebl M, Bankaitis VA. PMID: 1997207.
      View in: PubMed   Mentions: 119     Fields:    Translation:AnimalsCells
    26. An essential role for a phospholipid transfer protein in yeast Golgi function. Nature. 1990 Oct 11; 347(6293):561-2. Bankaitis VA, Aitken JR, Cleves AE, Dowhan W. PMID: 2215682.
      View in: PubMed   Mentions: 162     Fields:    Translation:AnimalsCells
    27. Cloning and characterization of Kluyveromyces lactis SEC14, a gene whose product stimulates Golgi secretory function in Saccharomyces cerevisiae. J Bacteriol. 1990 Aug; 172(8):4510-21. Salama SR, Cleves AE, Malehorn DE, Whitters EA, Bankaitis VA. PMID: 2198263.
      View in: PubMed   Mentions: 27     Fields:    Translation:AnimalsCells
    28. Mutations in the SAC1 gene suppress defects in yeast Golgi and yeast actin function. J Cell Biol. 1989 Dec; 109(6 Pt 1):2939-50. Cleves AE, Novick PJ, Bankaitis VA. PMID: 2687291.
      View in: PubMed   Mentions: 87     Fields:    Translation:AnimalsCells
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