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Journal Abstract Search

268 related items for PubMed ID: 19994847

  • 1. Discovery of small molecule inhibitors of protein-protein interactions using combined ligand and target score normalization.
    Casey FP, Pihan E, Shields DC.
    J Chem Inf Model; 2009 Dec; 49(12):2708-17. PubMed ID: 19994847
    [Abstract] [Full Text] [Related]

  • 2. Domain-based small molecule binding site annotation.
    Snyder KA, Feldman HJ, Dumontier M, Salama JJ, Hogue CW.
    BMC Bioinformatics; 2006 Mar 17; 7():152. PubMed ID: 16545112
    [Abstract] [Full Text] [Related]

  • 3. A large-scale computational approach to drug repositioning.
    Li YY, An J, Jones SJ.
    Genome Inform; 2006 Mar 17; 17(2):239-47. PubMed ID: 17503396
    [Abstract] [Full Text] [Related]

  • 4. Approved drug mimics of short peptide ligands from protein interaction motifs.
    Parthasarathi L, Casey F, Stein A, Aloy P, Shields DC.
    J Chem Inf Model; 2008 Oct 17; 48(10):1943-8. PubMed ID: 18826301
    [Abstract] [Full Text] [Related]

  • 5. Ranking targets in structure-based virtual screening of three-dimensional protein libraries: methods and problems.
    Kellenberger E, Foata N, Rognan D.
    J Chem Inf Model; 2008 May 17; 48(5):1014-25. PubMed ID: 18412328
    [Abstract] [Full Text] [Related]

  • 6. RosettaLigand docking with full ligand and receptor flexibility.
    Davis IW, Baker D.
    J Mol Biol; 2009 Jan 16; 385(2):381-92. PubMed ID: 19041878
    [Abstract] [Full Text] [Related]

  • 7. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY, Zou X.
    Proteins; 2007 Feb 01; 66(2):399-421. PubMed ID: 17096427
    [Abstract] [Full Text] [Related]

  • 8. Identification of small-molecule inhibitors against human leukocyte antigen-death receptor 4 (HLA-DR4) through a comprehensive strategy.
    Liu Z, Li B, Li X, Zhang L, Lai L.
    J Chem Inf Model; 2011 Feb 28; 51(2):326-34. PubMed ID: 21284404
    [Abstract] [Full Text] [Related]

  • 9. Computational methodologies for compound database searching that utilize experimental protein-ligand interaction information.
    Tan L, Batista J, Bajorath J.
    Chem Biol Drug Des; 2010 Sep 01; 76(3):191-200. PubMed ID: 20636330
    [Abstract] [Full Text] [Related]

  • 10. Identification of lead compounds as antagonists of protein Bcl-xL with a diversity-oriented multidisciplinary approach.
    Di Micco S, Vitale R, Pellecchia M, Rega MF, Riva R, Basso A, Bifulco G.
    J Med Chem; 2009 Dec 10; 52(23):7856-67. PubMed ID: 19852471
    [Abstract] [Full Text] [Related]

  • 11. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep 10; 12 Suppl 1():S101-18. PubMed ID: 17935268
    [Abstract] [Full Text] [Related]

  • 12. Investigation of MM-PBSA rescoring of docking poses.
    Thompson DC, Humblet C, Joseph-McCarthy D.
    J Chem Inf Model; 2008 May 10; 48(5):1081-91. PubMed ID: 18465849
    [Abstract] [Full Text] [Related]

  • 13. Validation of automated docking programs for docking and database screening against RNA drug targets.
    Detering C, Varani G.
    J Med Chem; 2004 Aug 12; 47(17):4188-201. PubMed ID: 15293991
    [Abstract] [Full Text] [Related]

  • 14. Phage display screening against a set of targets to establish peptide-based sugar mimetics and molecular docking to predict binding site.
    Yu L, Yu PS, Yee Yen Mui E, McKelvie JC, Pham TP, Yap YW, Wong WQ, Wu J, Deng W, Orner BP.
    Bioorg Med Chem; 2009 Jul 01; 17(13):4825-32. PubMed ID: 19447041
    [Abstract] [Full Text] [Related]

  • 15. SDOVS: a solvent dipole ordering-based method for virtual screening.
    Murata K, Nagata N, Nakanishi I, Kitaura K.
    J Comput Chem; 2010 Nov 30; 31(15):2714-22. PubMed ID: 20839298
    [Abstract] [Full Text] [Related]

  • 16. Small-molecule stabilization of protein-protein interactions: an underestimated concept in drug discovery?
    Thiel P, Kaiser M, Ottmann C.
    Angew Chem Int Ed Engl; 2012 Feb 27; 51(9):2012-8. PubMed ID: 22308055
    [Abstract] [Full Text] [Related]

  • 17. Form follows function: shape analysis of protein cavities for receptor-based drug design.
    Weisel M, Proschak E, Kriegl JM, Schneider G.
    Proteomics; 2009 Jan 27; 9(2):451-9. PubMed ID: 19142949
    [Abstract] [Full Text] [Related]

  • 18. Nonequilibrium, multiple-timescale simulations of ligand-receptor interactions in structured protein systems.
    Zhang Y, Peters MH, Li Y.
    Proteins; 2003 Aug 15; 52(3):339-48. PubMed ID: 12866048
    [Abstract] [Full Text] [Related]

  • 19. A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins.
    Hetényi C, Maran U, Karelson M.
    J Chem Inf Comput Sci; 2003 Aug 15; 43(5):1576-83. PubMed ID: 14502492
    [Abstract] [Full Text] [Related]

  • 20. Structure-based identification of binding sites, native ligands and potential inhibitors for G-protein coupled receptors.
    Cavasotto CN, Orry AJ, Abagyan RA.
    Proteins; 2003 May 15; 51(3):423-33. PubMed ID: 12696053
    [Abstract] [Full Text] [Related]

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