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Journal Abstract Search

1184 related items for PubMed ID: 15211508

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. 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 01; 49(4):1079-93. PubMed ID: 19358517
    [Abstract] [Full Text] [Related]

  • 3. Protein flexibility in ligand docking and virtual screening to protein kinases.
    Cavasotto CN, Abagyan RA.
    J Mol Biol; 2004 Mar 12; 337(1):209-25. PubMed ID: 15001363
    [Abstract] [Full Text] [Related]

  • 4. 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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  • 5. 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
    [Abstract] [Full Text] [Related]

  • 6. Assessing scoring functions for protein-ligand interactions.
    Ferrara P, Gohlke H, Price DJ, Klebe G, Brooks CL.
    J Med Chem; 2004 Jun 03; 47(12):3032-47. PubMed ID: 15163185
    [Abstract] [Full Text] [Related]

  • 7. 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 Jun 03; 46(6):2552-62. PubMed ID: 17125195
    [Abstract] [Full Text] [Related]

  • 8. 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
    [Abstract] [Full Text] [Related]

  • 9. 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 01; 48(12):2371-85. PubMed ID: 19007114
    [Abstract] [Full Text] [Related]

  • 10. Investigation of MM-PBSA rescoring of docking poses.
    Thompson DC, Humblet C, Joseph-McCarthy D.
    J Chem Inf Model; 2008 May 01; 48(5):1081-91. PubMed ID: 18465849
    [Abstract] [Full Text] [Related]

  • 11. 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
    [Abstract] [Full Text] [Related]

  • 12. E-novo: an automated workflow for efficient structure-based lead optimization.
    Pearce BC, Langley DR, Kang J, Huang H, Kulkarni A.
    J Chem Inf Model; 2009 Jul 15; 49(7):1797-809. PubMed ID: 19552372
    [Abstract] [Full Text] [Related]

  • 13. Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA.
    Greenidge PA, Kramer C, Mozziconacci JC, Sherman W.
    J Chem Inf Model; 2014 Oct 27; 54(10):2697-717. PubMed ID: 25266271
    [Abstract] [Full Text] [Related]

  • 14. 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
    [Abstract] [Full Text] [Related]

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  • 16. FlexE: efficient molecular docking considering protein structure variations.
    Claussen H, Buning C, Rarey M, Lengauer T.
    J Mol Biol; 2001 Apr 27; 308(2):377-95. PubMed ID: 11327774
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  • 20. General and targeted statistical potentials for protein-ligand interactions.
    Mooij WT, Verdonk ML.
    Proteins; 2005 Nov 01; 61(2):272-87. PubMed ID: 16106379
    [Abstract] [Full Text] [Related]

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