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Journal Abstract Search

135 related items for PubMed ID: 19821514

  • 1. Blind docking method combining search of low-resolution binding sites with ligand pose refinement by molecular dynamics-based global optimization.
    Vorobjev YN.
    J Comput Chem; 2010 Apr 15; 31(5):1080-92. PubMed ID: 19821514
    [Abstract] [Full Text] [Related]

  • 2. PSI-DOCK: towards highly efficient and accurate flexible ligand docking.
    Pei J, Wang Q, Liu Z, Li Q, Yang K, Lai L.
    Proteins; 2006 Mar 01; 62(4):934-46. PubMed ID: 16395666
    [Abstract] [Full Text] [Related]

  • 3. A flexible approach to induced fit docking.
    Nabuurs SB, Wagener M, de Vlieg J.
    J Med Chem; 2007 Dec 27; 50(26):6507-18. PubMed ID: 18031000
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  • 4. EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.
    Grosdidier A, Zoete V, Michielin O.
    Proteins; 2007 Jun 01; 67(4):1010-25. PubMed ID: 17380512
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  • 5. DynaDock: A new molecular dynamics-based algorithm for protein-peptide docking including receptor flexibility.
    Antes I.
    Proteins; 2010 Apr 01; 78(5):1084-104. PubMed ID: 20017216
    [Abstract] [Full Text] [Related]

  • 6. Detailed analysis of grid-based molecular docking: A case study of CDOCKER-A CHARMm-based MD docking algorithm.
    Wu G, Robertson DH, Brooks CL, Vieth M.
    J Comput Chem; 2003 Oct 01; 24(13):1549-62. PubMed ID: 12925999
    [Abstract] [Full Text] [Related]

  • 7. 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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  • 13. 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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  • 15. Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy.
    Erickson JA, Jalaie M, Robertson DH, Lewis RA, Vieth M.
    J Med Chem; 2004 Jan 01; 47(1):45-55. PubMed ID: 14695819
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  • 19. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY, Zou X.
    Proteins; 2007 Feb 01; 66(2):399-421. PubMed ID: 17096427
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