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Journal Abstract Search

1545 related items for PubMed ID: 17004707

  • 1. A critical assessment of docking programs and scoring functions.
    Warren GL, Andrews CW, Capelli AM, Clarke B, LaLonde J, Lambert MH, Lindvall M, Nevins N, Semus SF, Senger S, Tedesco G, Wall ID, Woolven JM, Peishoff CE, Head MS.
    J Med Chem; 2006 Oct 05; 49(20):5912-31. PubMed ID: 17004707
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  • 2. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Perola E, Walters WP, Charifson PS.
    Proteins; 2004 Aug 01; 56(2):235-49. PubMed ID: 15211508
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  • 3. Evaluation of docking performance: comparative data on docking algorithms.
    Kontoyianni M, McClellan LM, Sokol GS.
    J Med Chem; 2004 Jan 29; 47(3):558-65. PubMed ID: 14736237
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  • 4. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
    Stroganov OV, Novikov FN, Stroylov VS, Kulkov V, Chilov GG.
    J Chem Inf Model; 2008 Dec 29; 48(12):2371-85. PubMed ID: 19007114
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  • 5. The consequences of scoring docked ligand conformations using free energy correlations.
    Spyrakis F, Amadasi A, Fornabaio M, Abraham DJ, Mozzarelli A, Kellogg GE, Cozzini P.
    Eur J Med Chem; 2007 Jul 29; 42(7):921-33. PubMed ID: 17346861
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  • 6. Validation studies of the site-directed docking program LibDock.
    Rao SN, Head MS, Kulkarni A, LaLonde JM.
    J Chem Inf Model; 2007 Jul 29; 47(6):2159-71. PubMed ID: 17985863
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  • 7. Prediction of multiple binding modes of the CDK2 inhibitors, anilinopyrazoles, using the automated docking programs GOLD, FlexX, and LigandFit: an evaluation of performance.
    Sato H, Shewchuk LM, Tang J.
    J Chem Inf Model; 2006 Jul 29; 46(6):2552-62. PubMed ID: 17125195
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  • 12. Supervised scoring models with docked ligand conformations for structure-based virtual screening.
    Teramoto R, Fukunishi H.
    J Chem Inf Model; 2007 Jul 29; 47(5):1858-67. PubMed ID: 17685604
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  • 13. FlexE: efficient molecular docking considering protein structure variations.
    Claussen H, Buning C, Rarey M, Lengauer T.
    J Mol Biol; 2001 Apr 27; 308(2):377-95. PubMed ID: 11327774
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  • 14. Comparative evaluation of 11 scoring functions for molecular docking.
    Wang R, Lu Y, Wang S.
    J Med Chem; 2003 Jun 05; 46(12):2287-303. PubMed ID: 12773034
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  • 15. Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design.
    Smith R, Hubbard RE, Gschwend DA, Leach AR, Good AC.
    J Mol Graph Model; 2003 Sep 05; 22(1):41-53. PubMed ID: 12798390
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  • 20. Protein-ligand docking against non-native protein conformers.
    Verdonk ML, Mortenson PN, Hall RJ, Hartshorn MJ, Murray CW.
    J Chem Inf Model; 2008 Nov 05; 48(11):2214-25. PubMed ID: 18954138
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