Ann Jain, PhD

Title(s)Specialist, HDF Comprehensive Cancer Ctr
SchoolSchool of Medicine
Address1450 Third St
San Francisco CA 94158
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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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    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: 1     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: 6     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: 12     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: 17     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: 9     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: 23     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: 14     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: 19     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: 31     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: 60     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: 68     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: 50     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: 128     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: 179     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: 31     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: 92     Fields:    Translation:AnimalsCells
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