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Journal Abstract Search

258 related items for PubMed ID: 17804436

  • 1. Structure-based calculation of drug efficiency indices.
    Hetényi C, Maran U, García-Sosa AT, Karelson M.
    Bioinformatics; 2007 Oct 15; 23(20):2678-85. PubMed ID: 17804436
    [Abstract] [Full Text] [Related]

  • 2. Combination of a modified scoring function with two-dimensional descriptors for calculation of binding affinities of bulky, flexible ligands to proteins.
    Hetényi C, Paragi G, Maran U, Timár Z, Karelson M, Penke B.
    J Am Chem Soc; 2006 Feb 01; 128(4):1233-9. PubMed ID: 16433540
    [Abstract] [Full Text] [Related]

  • 3. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May 01; 10(3):275-80. PubMed ID: 17554853
    [Abstract] [Full Text] [Related]

  • 4. Lead optimization via high-throughput molecular docking.
    Joseph-McCarthy D, Baber JC, Feyfant E, Thompson DC, Humblet C.
    Curr Opin Drug Discov Devel; 2007 May 01; 10(3):264-74. PubMed ID: 17554852
    [Abstract] [Full Text] [Related]

  • 5. Physics-based methods for studying protein-ligand interactions.
    Huang N, Jacobson MP.
    Curr Opin Drug Discov Devel; 2007 May 01; 10(3):325-31. PubMed ID: 17554859
    [Abstract] [Full Text] [Related]

  • 6. Automatic clustering of docking poses in virtual screening process using self-organizing map.
    Bouvier G, Evrard-Todeschi N, Girault JP, Bertho G.
    Bioinformatics; 2010 Jan 01; 26(1):53-60. PubMed ID: 19910307
    [Abstract] [Full Text] [Related]

  • 7. Structure-based maximal affinity model predicts small-molecule druggability.
    Cheng AC, Coleman RG, Smyth KT, Cao Q, Soulard P, Caffrey DR, Salzberg AC, Huang ES.
    Nat Biotechnol; 2007 Jan 01; 25(1):71-5. PubMed ID: 17211405
    [Abstract] [Full Text] [Related]

  • 8. Informatics and modeling challenges in fragment-based drug discovery.
    Hubbard RE, Chen I, Davis B.
    Curr Opin Drug Discov Devel; 2007 May 01; 10(3):289-97. PubMed ID: 17554855
    [Abstract] [Full Text] [Related]

  • 9. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep 01; 12 Suppl 1():S101-18. PubMed ID: 17935268
    [Abstract] [Full Text] [Related]

  • 10. A novel class of Hsp90 inhibitors isolated by structure-based virtual screening.
    Park H, Kim YJ, Hahn JS.
    Bioorg Med Chem Lett; 2007 Nov 15; 17(22):6345-9. PubMed ID: 17869098
    [Abstract] [Full Text] [Related]

  • 11. Ranking poses in structure-based lead discovery and optimization: current trends in scoring function development.
    Rajamani R, Good AC.
    Curr Opin Drug Discov Devel; 2007 May 15; 10(3):308-15. PubMed ID: 17554857
    [Abstract] [Full Text] [Related]

  • 12. Comparative assessment of scoring functions on a diverse test set.
    Cheng T, Li X, Li Y, Liu Z, Wang R.
    J Chem Inf Model; 2009 Apr 15; 49(4):1079-93. PubMed ID: 19358517
    [Abstract] [Full Text] [Related]

  • 13. Beyond the virtual screening paradigm: structure-based searching for new lead compounds.
    Schlosser J, Rarey M.
    J Chem Inf Model; 2009 Apr 15; 49(4):800-9. PubMed ID: 19354328
    [Abstract] [Full Text] [Related]

  • 14. Druggability indices for protein targets derived from NMR-based screening data.
    Hajduk PJ, Huth JR, Fesik SW.
    J Med Chem; 2005 Apr 07; 48(7):2518-25. PubMed ID: 15801841
    [Abstract] [Full Text] [Related]

  • 15. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC.
    Curr Opin Drug Discov Devel; 2008 May 07; 11(3):356-64. PubMed ID: 18428089
    [Abstract] [Full Text] [Related]

  • 16. Fragment-based lead discovery: a chemical update.
    Erlanson DA.
    Curr Opin Biotechnol; 2006 Dec 07; 17(6):643-52. PubMed ID: 17084612
    [Abstract] [Full Text] [Related]

  • 17. In silico fragment screening by replica generation (FSRG) method for fragment-based drug design.
    Fukunishi Y, Mashimo T, Orita M, Ohno K, Nakamura H.
    J Chem Inf Model; 2009 Apr 07; 49(4):925-33. PubMed ID: 19354203
    [Abstract] [Full Text] [Related]

  • 18. Virtual screening strategies in drug discovery.
    McInnes C.
    Curr Opin Chem Biol; 2007 Oct 07; 11(5):494-502. PubMed ID: 17936059
    [Abstract] [Full Text] [Related]

  • 19. Binding interaction analysis of the active site and its inhibitors for neuraminidase (N1 subtype) of human influenza virus by the integration of molecular docking, FMO calculation and 3D-QSAR CoMFA modeling.
    Zhang Q, Yang J, Liang K, Feng L, Li S, Wan J, Xu X, Yang G, Liu D, Yang S.
    J Chem Inf Model; 2008 Sep 07; 48(9):1802-12. PubMed ID: 18707092
    [Abstract] [Full Text] [Related]

  • 20. Enhanced virtual screening by combined use of two docking methods: getting the most on a limited budget.
    Maiorov V, Sheridan RP.
    J Chem Inf Model; 2005 Sep 07; 45(4):1017-23. PubMed ID: 16045296
    [Abstract] [Full Text] [Related]

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