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Journal Abstract Search

297 related items for PubMed ID: 20443166

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  • 2. 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; 48(12):2371-85. PubMed ID: 19007114
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  • 4. Scoring ligand similarity in structure-based virtual screening.
    Zavodszky MI, Rohatgi A, Van Voorst JR, Yan H, Kuhn LA.
    J Mol Recognit; 2009 Dec; 22(4):280-92. PubMed ID: 19235177
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  • 6. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
    Zhang X, Wong SE, Lightstone FC.
    J Chem Inf Model; 2014 Jan 27; 54(1):324-37. PubMed ID: 24358939
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  • 7. Efficient virtual screening using multiple protein conformations described as negative images of the ligand-binding site.
    Virtanen SI, Pentikäinen OT.
    J Chem Inf Model; 2010 Jun 28; 50(6):1005-11. PubMed ID: 20504004
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  • 9. Physics-based scoring of protein-ligand complexes: enrichment of known inhibitors in large-scale virtual screening.
    Huang N, Kalyanaraman C, Irwin JJ, Jacobson MP.
    J Chem Inf Model; 2006 Jun 28; 46(1):243-53. PubMed ID: 16426060
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  • 10. 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 28; 10(3):308-15. PubMed ID: 17554857
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  • 11. 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 28; 48(5):1014-25. PubMed ID: 18412328
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  • 12. 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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  • 13. Improving VEGFR-2 docking-based screening by pharmacophore postfiltering and similarity search postprocessing.
    Planesas JM, Claramunt RM, Teixidó J, Borrell JI, Pérez-Nueno VI.
    J Chem Inf Model; 2011 Apr 25; 51(4):777-87. PubMed ID: 21417262
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  • 16. MM-GB/SA rescoring of docking poses in structure-based lead optimization.
    Guimarães CR, Cardozo M.
    J Chem Inf Model; 2008 May 25; 48(5):958-70. PubMed ID: 18422307
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  • 18. Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.
    de Graaf C, Oostenbrink C, Keizers PH, van der Wijst T, Jongejan A, Vermeulen NP.
    J Med Chem; 2006 Apr 20; 49(8):2417-30. PubMed ID: 16610785
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