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Journal Abstract Search

200 related items for PubMed ID: 14695822

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  • 3. HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.
    Floriano WB, Vaidehi N, Zamanakos G, Goddard WA.
    J Med Chem; 2004 Jan 01; 47(1):56-71. PubMed ID: 14695820
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  • 4. Fragment-based lead discovery using X-ray crystallography.
    Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H.
    J Med Chem; 2005 Jan 27; 48(2):403-13. PubMed ID: 15658854
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  • 7. 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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  • 9. 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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  • 12. Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions.
    Deng Z, Chuaqui C, Singh J.
    J Med Chem; 2004 Jan 15; 47(2):337-44. PubMed ID: 14711306
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  • 13. GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.
    Li H, Li C, Gui C, Luo X, Chen K, Shen J, Wang X, Jiang H.
    Bioorg Med Chem Lett; 2004 Sep 20; 14(18):4671-6. PubMed ID: 15324886
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  • 16. Multiple target screening method for robust and accurate in silico ligand screening.
    Fukunishi Y, Mikami Y, Kubota S, Nakamura H.
    J Mol Graph Model; 2006 Sep 20; 25(1):61-70. PubMed ID: 16376595
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  • 17. Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking.
    Kolb P, Caflisch A.
    J Med Chem; 2006 Dec 14; 49(25):7384-92. PubMed ID: 17149868
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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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  • 19. Diverse, high-quality test set for the validation of protein-ligand docking performance.
    Hartshorn MJ, Verdonk ML, Chessari G, Brewerton SC, Mooij WT, Mortenson PN, Murray CW.
    J Med Chem; 2007 Feb 22; 50(4):726-41. PubMed ID: 17300160
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  • 20. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep 22; 12 Suppl 1():S101-18. PubMed ID: 17935268
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