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Journal Abstract Search

294 related items for PubMed ID: 15651036

  • 1. Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.
    Kirton SB, Murray CW, Verdonk ML, Taylor RD.
    Proteins; 2005 Mar 01; 58(4):836-44. PubMed ID: 15651036
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  • 3. 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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  • 5. 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 Oct 05; 46(6):2552-62. PubMed ID: 17125195
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  • 6. 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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  • 8. Designing better drugs: predicting cytochrome P450 metabolism.
    de Groot MJ.
    Drug Discov Today; 2006 Jul 20; 11(13-14):601-6. PubMed ID: 16793528
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  • 9. Comparative assessment of scoring functions on a diverse test set.
    Cheng T, Li X, Li Y, Liu Z, Wang R.
    J Chem Inf Model; 2009 Apr 20; 49(4):1079-93. PubMed ID: 19358517
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  • 12. Binding mode prediction of cytochrome p450 and thymidine kinase protein-ligand complexes by consideration of water and rescoring in automated docking.
    de Graaf C, Pospisil P, Pos W, Folkers G, Vermeulen NP.
    J Med Chem; 2005 Apr 07; 48(7):2308-18. PubMed ID: 15801824
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  • 14. General and targeted statistical potentials for protein-ligand interactions.
    Mooij WT, Verdonk ML.
    Proteins; 2005 Nov 01; 61(2):272-87. PubMed ID: 16106379
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  • 16. Docking and scoring protein complexes: CAPRI 3rd Edition.
    Lensink MF, Méndez R, Wodak SJ.
    Proteins; 2007 Dec 01; 69(4):704-18. PubMed ID: 17918726
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  • 19. 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 01; 42(7):921-33. PubMed ID: 17346861
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  • 20. Predicting protein-ligand binding affinities: a low scoring game?
    Marsden PM, Puvanendrampillai D, Mitchell JB, Glen RC.
    Org Biomol Chem; 2004 Nov 21; 2(22):3267-73. PubMed ID: 15534704
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