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Journal Abstract Search

299 related items for PubMed ID: 16156645

  • 1. Virtual screening against metalloenzymes for inhibitors and substrates.
    Irwin JJ, Raushel FM, Shoichet BK.
    Biochemistry; 2005 Sep 20; 44(37):12316-28. PubMed ID: 16156645
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  • 2. Investigation of MM-PBSA rescoring of docking poses.
    Thompson DC, Humblet C, Joseph-McCarthy D.
    J Chem Inf Model; 2008 May 20; 48(5):1081-91. PubMed ID: 18465849
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  • 3. Testing a flexible-receptor docking algorithm in a model binding site.
    Wei BQ, Weaver LH, Ferrari AM, Matthews BW, Shoichet BK.
    J Mol Biol; 2004 Apr 09; 337(5):1161-82. PubMed ID: 15046985
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  • 11. Structure-based virtual screening with supervised consensus scoring: evaluation of pose prediction and enrichment factors.
    Teramoto R, Fukunishi H.
    J Chem Inf Model; 2008 Apr 09; 48(4):747-54. PubMed ID: 18318474
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  • 12. 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 Apr 09; 46(1):243-53. PubMed ID: 16426060
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  • 13. Modeling of metal interaction geometries for protein-ligand docking.
    Seebeck B, Reulecke I, Kämper A, Rarey M.
    Proteins; 2008 May 15; 71(3):1237-54. PubMed ID: 18041759
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  • 14. DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction.
    Velec HF, Gohlke H, Klebe G.
    J Med Chem; 2005 Oct 06; 48(20):6296-303. PubMed ID: 16190756
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  • 15. 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. Multiple active site corrections for docking and virtual screening.
    Vigers GP, Rizzi JP.
    J Med Chem; 2004 Jan 01; 47(1):80-9. PubMed ID: 14695822
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