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Journal Abstract Search

121 related items for PubMed ID: 12798389

  • 1. Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for success.
    Good AC, Cheney DL, Sitkoff DF, Tokarski JS, Stouch TR, Bassolino DA, Krystek SR, Li Y, Mason JS, Perkins TD.
    J Mol Graph Model; 2003 Sep; 22(1):31-40. PubMed ID: 12798389
    [Abstract] [Full Text] [Related]

  • 2. Analysis and optimization of structure-based virtual screening protocols (1): exploration of ligand conformational sampling techniques.
    Good AC, Cheney DL.
    J Mol Graph Model; 2003 Sep; 22(1):23-30. PubMed ID: 12798388
    [Abstract] [Full Text] [Related]

  • 3. Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design.
    Smith R, Hubbard RE, Gschwend DA, Leach AR, Good AC.
    J Mol Graph Model; 2003 Sep; 22(1):41-53. PubMed ID: 12798390
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  • 4. Structure-based virtual screening protocols.
    Good A.
    Curr Opin Drug Discov Devel; 2001 May; 4(3):301-7. PubMed ID: 11560062
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  • 5. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC.
    Curr Opin Drug Discov Devel; 2008 May; 11(3):356-64. PubMed ID: 18428089
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  • 6. 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
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  • 7. 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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  • 11. 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 29; 49(4):1079-93. PubMed ID: 19358517
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  • 12. Comparing protein-ligand docking programs is difficult.
    Cole JC, Murray CW, Nissink JW, Taylor RD, Taylor R.
    Proteins; 2005 Aug 15; 60(3):325-32. PubMed ID: 15937897
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  • 13. Towards improving compound selection in structure-based virtual screening.
    Waszkowycz B.
    Drug Discov Today; 2008 Mar 15; 13(5-6):219-26. PubMed ID: 18342797
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  • 16. Virtual screening and scaffold hopping based on GRID molecular interaction fields.
    Ahlström MM, Ridderström M, Luthman K, Zamora I.
    J Chem Inf Model; 2005 Mar 15; 45(5):1313-23. PubMed ID: 16180908
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  • 19. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols.
    Evers A, Hessler G, Matter H, Klabunde T.
    J Med Chem; 2005 Aug 25; 48(17):5448-65. PubMed ID: 16107144
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  • 20. Automated generation of MCSS-derived pharmacophoric DOCK site points for searching multiconformation databases.
    Joseph-McCarthy D, Alvarez JC.
    Proteins; 2003 May 01; 51(2):189-202. PubMed ID: 12660988
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