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Ann Jain, PhD

Title(s)Specialist, HDF Comprehensive Cancer Ctr
SchoolSchool of Medicine
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.
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    1. Cleves AE, Johnson SR, Jain AN. Electrostatic-field and surface-shape similarity for virtual screening and pose prediction. J Comput Aided Mol Des. 2019 10; 33(10):865-886. PMID: 31650386.
      View in: PubMed
    2. Jain AN, Cleves AE, Gao Q, Wang X, Liu Y, Sherer EC, Reibarkh MY. Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen. J Comput Aided Mol Des. 2019 Jun; 33(6):531-558. PMID: 31054028.
      View in: PubMed
    3. Cleves AE, Jain AN. 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. PMID: 29934750.
      View in: PubMed
    4. Cleves AE, Jain AN. 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. PMID: 28289981.
      View in: PubMed
    5. Cleves AE, Jain AN. Extrapolative prediction using physically-based QSAR. J Comput Aided Mol Des. 2016 Feb; 30(2):127-52. PMID: 26860112.
      View in: PubMed
    6. Cleves AE, Jain AN. 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. PMID: 25940276.
      View in: PubMed
    7. Cleves AE, Jain AN. Chemical and protein structural basis for biological crosstalk between PPARa and COX enzymes. J Comput Aided Mol Des. 2015 Feb; 29(2):101-12. PMID: 25428568.
      View in: PubMed
    8. Yera ER, Cleves AE, Jain AN. Prediction of off-target drug effects through data fusion. Pac Symp Biocomput. 2014; 160-71. PMID: 24297543.
      View in: PubMed
    9. Spitzer R, Cleves AE, Varela R, Jain AN. Protein function annotation by local binding site surface similarity. Proteins. 2014 Apr; 82(4):679-94. PMID: 24166661.
      View in: PubMed
    10. Varela R, Cleves AE, Spitzer R, Jain AN. A structure-guided approach for protein pocket modeling and affinity prediction. J Comput Aided Mol Des. 2013 Nov; 27(11):917-34. PMID: 24214361.
      View in: PubMed
    11. Jain AN, Cleves AE. Does your model weigh the same as a duck? J Comput Aided Mol Des. 2012 Jan; 26(1):57-67. PMID: 22187141.
      View in: PubMed
    12. Yera ER, Cleves AE, Jain AN. Chemical structural novelty: on-targets and off-targets. J Med Chem. 2011 Oct 13; 54(19):6771-85. PMID: 21916467.
      View in: PubMed
    13. Spitzer R, Cleves AE, Jain AN. Surface-based protein binding pocket similarity. Proteins. 2011 Sep; 79(9):2746-63. PMID: 21769944.
      View in: PubMed
    14. Langham JJ, Cleves AE, Spitzer R, Kirshner D, Jain AN. Physical binding pocket induction for affinity prediction. J Med Chem. 2009 Oct 08; 52(19):6107-25. PMID: 19754201.
      View in: PubMed
    15. Cleves AE, Jain AN. 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. PMID: 18074107.
      View in: PubMed
    16. Cleves AE, Jain AN. Robust ligand-based modeling of the biological targets of known drugs. J Med Chem. 2006 May 18; 49(10):2921-38. PMID: 16686535.
      View in: PubMed
    17. Cleves AE, Clift-O'Grady L, Kelly RB. ATP-dependent formation of free synaptic vesicles from PC12 membranes in vitro. Neurochem Res. 1997 Aug; 22(8):933-40. PMID: 9239748.
      View in: PubMed
    18. Cleves AE. Protein transports: the nonclassical ins and outs. Curr Biol. 1997 May 01; 7(5):R318-20. PMID: 9115389.
      View in: PubMed
    19. Cleves AE, Cooper DN, Barondes SH, Kelly RB. A new pathway for protein export in Saccharomyces cerevisiae. J Cell Biol. 1996 Jun; 133(5):1017-26. PMID: 8655575.
      View in: PubMed
    20. Cleves AE, Kelly RB. Rehearsing the ABCs. Protein translocation. Curr Biol. 1996 Mar 01; 6(3):276-8. PMID: 8805237.
      View in: PubMed
    21. Whitters EA, Cleves AE, McGee TP, Skinner HB, Bankaitis VA. 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. PMID: 8314848.
      View in: PubMed
    22. Kelly RB, Bonzelius F, Cleves A, Clift-O'Grady L, Grote E, Herman G. Biogenesis of synaptic vesicles. J Cell Sci Suppl. 1993; 17:81-3. PMID: 7511619.
      View in: PubMed
    23. Cleves AE, Bankaitis VA. Secretory pathway function in Saccharomyces cerevisiae. Adv Microb Physiol. 1992; 33:73-144. PMID: 1636512.
      View in: PubMed
    24. Cleves A, McGee T, Bankaitis V. Phospholipid transfer proteins: a biological debut. Trends Cell Biol. 1991 Jul; 1(1):30-4. PMID: 14731807.
      View in: PubMed
    25. Cleves AE, McGee TP, Whitters EA, Champion KM, Aitken JR, Dowhan W, Goebl M, Bankaitis VA. 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. PMID: 1997207.
      View in: PubMed
    26. Bankaitis VA, Aitken JR, Cleves AE, Dowhan W. An essential role for a phospholipid transfer protein in yeast Golgi function. Nature. 1990 Oct 11; 347(6293):561-2. PMID: 2215682.
      View in: PubMed
    27. Salama SR, Cleves AE, Malehorn DE, Whitters EA, Bankaitis VA. 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. PMID: 2198263.
      View in: PubMed
    28. Cleves AE, Novick PJ, Bankaitis VA. 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. PMID: 2687291.
      View in: PubMed
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