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Journal Abstract Search

577 related items for PubMed ID: 14761803

  • 1. Novel technologies for virtual screening.
    Lengauer T, Lemmen C, Rarey M, Zimmermann M.
    Drug Discov Today; 2004 Jan 01; 9(1):27-34. PubMed ID: 14761803
    [Abstract] [Full Text] [Related]

  • 2. Novel 2D fingerprints for ligand-based virtual screening.
    Ewing T, Baber JC, Feher M.
    J Chem Inf Model; 2006 Jan 01; 46(6):2423-31. PubMed ID: 17125184
    [Abstract] [Full Text] [Related]

  • 3. Virtual screening strategies in drug discovery.
    McInnes C.
    Curr Opin Chem Biol; 2007 Oct 01; 11(5):494-502. PubMed ID: 17936059
    [Abstract] [Full Text] [Related]

  • 4. Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa.
    Krovat EM, Frühwirth KH, Langer T.
    J Chem Inf Model; 2005 Oct 01; 45(1):146-59. PubMed ID: 15667140
    [Abstract] [Full Text] [Related]

  • 5. Beyond the virtual screening paradigm: structure-based searching for new lead compounds.
    Schlosser J, Rarey M.
    J Chem Inf Model; 2009 Apr 01; 49(4):800-9. PubMed ID: 19354328
    [Abstract] [Full Text] [Related]

  • 6. Structure-based virtual screening protocols.
    Good A.
    Curr Opin Drug Discov Devel; 2001 May 01; 4(3):301-7. PubMed ID: 11560062
    [Abstract] [Full Text] [Related]

  • 7. Discovery of novel HIV entry inhibitors for the CXCR4 receptor by prospective virtual screening.
    Pérez-Nueno VI, Pettersson S, Ritchie DW, Borrell JI, Teixidó J.
    J Chem Inf Model; 2009 Apr 01; 49(4):810-23. PubMed ID: 19358515
    [Abstract] [Full Text] [Related]

  • 8. Ligand-target interaction-based weighting of substructures for virtual screening.
    Crisman TJ, Sisay MT, Bajorath J.
    J Chem Inf Model; 2008 Oct 01; 48(10):1955-64. PubMed ID: 18821751
    [Abstract] [Full Text] [Related]

  • 9. Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.
    Mizutani MY, Itai A.
    J Med Chem; 2004 Sep 23; 47(20):4818-28. PubMed ID: 15369385
    [Abstract] [Full Text] [Related]

  • 10. 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 23; 49(4):925-33. PubMed ID: 19354203
    [Abstract] [Full Text] [Related]

  • 11. Fuzzy pharmacophore models from molecular alignments for correlation-vector-based virtual screening.
    Renner S, Schneider G.
    J Med Chem; 2004 Sep 09; 47(19):4653-64. PubMed ID: 15341481
    [Abstract] [Full Text] [Related]

  • 12. Integrating virtual screening in lead discovery.
    Oprea TI, Matter H.
    Curr Opin Chem Biol; 2004 Aug 09; 8(4):349-58. PubMed ID: 15288243
    [Abstract] [Full Text] [Related]

  • 13. Development and virtual screening of target libraries.
    Rognan D.
    J Physiol Paris; 2006 Aug 09; 99(2-3):232-44. PubMed ID: 16459061
    [Abstract] [Full Text] [Related]

  • 14. Efficient 3D database screening for novel HIV-1 IN inhibitors.
    Barreca ML, Rao A, De Luca L, Zappalà M, Gurnari C, Monforte P, De Clercq E, Van Maele B, Debyser Z, Witvrouw M, Briggs JM, Chimirri A.
    J Chem Inf Comput Sci; 2004 Aug 09; 44(4):1450-5. PubMed ID: 15272853
    [Abstract] [Full Text] [Related]

  • 15. Virtual compound screening in drug discovery.
    Stumpfe D, Ripphausen P, Bajorath J.
    Future Med Chem; 2012 Apr 09; 4(5):593-602. PubMed ID: 22458679
    [Abstract] [Full Text] [Related]

  • 16. Virtual screening in lead discovery and optimization.
    Jain AN.
    Curr Opin Drug Discov Devel; 2004 Jul 09; 7(4):396-403. PubMed ID: 15338948
    [Abstract] [Full Text] [Related]

  • 17. Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures.
    Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E, Schuffenhauer A.
    Org Biomol Chem; 2004 Nov 21; 2(22):3256-66. PubMed ID: 15534703
    [Abstract] [Full Text] [Related]

  • 18. Structure-based approaches to drug design and virtual screening.
    Waszkowycz B.
    Curr Opin Drug Discov Devel; 2002 May 21; 5(3):407-13. PubMed ID: 12058616
    [Abstract] [Full Text] [Related]

  • 19. Structure-based pharmacophore design and virtual screening for novel angiotensin converting enzyme 2 inhibitors.
    Rella M, Rushworth CA, Guy JL, Turner AJ, Langer T, Jackson RM.
    J Chem Inf Model; 2006 May 21; 46(2):708-16. PubMed ID: 16563001
    [Abstract] [Full Text] [Related]

  • 20. LigMatch: a multiple structure-based ligand matching method for 3D virtual screening.
    Kinnings SL, Jackson RM.
    J Chem Inf Model; 2009 Sep 21; 49(9):2056-66. PubMed ID: 19685924
    [Abstract] [Full Text] [Related]

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