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Journal Abstract Search

374 related items for PubMed ID: 17125195

  • 1. 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; 46(6):2552-62. PubMed ID: 17125195
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  • 4. 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; 49(4):1079-93. PubMed ID: 19358517
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  • 5. Virtual screening to enrich a compound collection with CDK2 inhibitors using docking, scoring, and composite scoring models.
    Cotesta S, Giordanetto F, Trosset JY, Crivori P, Kroemer RT, Stouten PF, Vulpetti A.
    Proteins; 2005 Sep 01; 60(4):629-43. PubMed ID: 16028223
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  • 8. Evaluation of library ranking efficacy in virtual screening.
    Kontoyianni M, Sokol GS, McClellan LM.
    J Comput Chem; 2005 Jan 15; 26(1):11-22. PubMed ID: 15526325
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  • 12. Protein structures in virtual screening: a case study with CDK2.
    Thomas MP, McInnes C, Fischer PM.
    J Med Chem; 2006 Jan 12; 49(1):92-104. PubMed ID: 16392795
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  • 13. Improved protein-ligand docking using GOLD.
    Verdonk ML, Cole JC, Hartshorn MJ, Murray CW, Taylor RD.
    Proteins; 2003 Sep 01; 52(4):609-23. PubMed ID: 12910460
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  • 14. Validation studies of the site-directed docking program LibDock.
    Rao SN, Head MS, Kulkarni A, LaLonde JM.
    J Chem Inf Model; 2007 Sep 01; 47(6):2159-71. PubMed ID: 17985863
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  • 15. Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database.
    Plewczynski D, Łaźniewski M, Augustyniak R, Ginalski K.
    J Comput Chem; 2011 Mar 01; 32(4):742-55. PubMed ID: 20812323
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  • 16. Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.
    Li X, Li Y, Cheng T, Liu Z, Wang R.
    J Comput Chem; 2010 Aug 01; 31(11):2109-25. PubMed ID: 20127741
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  • 17. MM-GB/SA rescoring of docking poses in structure-based lead optimization.
    Guimarães CR, Cardozo M.
    J Chem Inf Model; 2008 May 01; 48(5):958-70. PubMed ID: 18422307
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  • 18. 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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  • 19. 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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  • 20. Accounting for ligand-bound metal ions in docking small molecules on adenylyl cyclase toxins.
    Chen D, Menche G, Power TD, Sower L, Peterson JW, Schein CH.
    Proteins; 2007 May 15; 67(3):593-605. PubMed ID: 17311351
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