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Journal Abstract Search

273 related items for PubMed ID: 18076034

  • 1. A statistical rescoring scheme for protein-ligand docking: Consideration of entropic effect.
    Lee J, Seok C.
    Proteins; 2008 Feb 15; 70(3):1074-83. PubMed ID: 18076034
    [Abstract] [Full Text] [Related]

  • 2. Role of binding entropy in the refinement of protein-ligand docking predictions: analysis based on the use of 11 scoring functions.
    Ruvinsky AM.
    J Comput Chem; 2007 Jun 15; 28(8):1364-72. PubMed ID: 17342720
    [Abstract] [Full Text] [Related]

  • 3. A filter enhanced sampling and combinatorial scoring study for protein docking in CAPRI.
    Gong XQ, Chang S, Zhang QH, Li CH, Shen LZ, Ma XH, Wang MH, Liu B, He HQ, Chen WZ, Wang CX.
    Proteins; 2007 Dec 01; 69(4):859-65. PubMed ID: 17803223
    [Abstract] [Full Text] [Related]

  • 4. Testing assumptions and hypotheses for rescoring success in protein-ligand docking.
    O'Boyle NM, Liebeschuetz JW, Cole JC.
    J Chem Inf Model; 2009 Aug 01; 49(8):1871-8. PubMed ID: 19645429
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  • 5. 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
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  • 6. Comparative evaluation of 11 scoring functions for molecular docking.
    Wang R, Lu Y, Wang S.
    J Med Chem; 2003 Jun 05; 46(12):2287-303. PubMed ID: 12773034
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. Binding estimation after refinement, a new automated procedure for the refinement and rescoring of docked ligands in virtual screening.
    Rastelli G, Degliesposti G, Del Rio A, Sgobba M.
    Chem Biol Drug Des; 2009 Mar 01; 73(3):283-6. PubMed ID: 19207463
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  • 10. LigDockCSA: protein-ligand docking using conformational space annealing.
    Shin WH, Heo L, Lee J, Ko J, Seok C, Lee J.
    J Comput Chem; 2011 Nov 30; 32(15):3226-32. PubMed ID: 21837636
    [Abstract] [Full Text] [Related]

  • 11. MM-GB/SA rescoring of docking poses in structure-based lead optimization.
    Guimarães CR, Cardozo M.
    J Chem Inf Model; 2008 May 30; 48(5):958-70. PubMed ID: 18422307
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  • 12. Consensus scoring for protein-ligand interactions.
    Feher M.
    Drug Discov Today; 2006 May 30; 11(9-10):421-8. PubMed ID: 16635804
    [Abstract] [Full Text] [Related]

  • 13. 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
    [Abstract] [Full Text] [Related]

  • 14. New and fast statistical-thermodynamic method for computation of protein-ligand binding entropy substantially improves docking accuracy.
    Ruvinsky AM, Kozintsev AV.
    J Comput Chem; 2005 Aug 07; 26(11):1089-95. PubMed ID: 15929088
    [Abstract] [Full Text] [Related]

  • 15. Postprocessing of docked protein-ligand complexes using implicit solvation models.
    Lindström A, Edvinsson L, Johansson A, Andersson CD, Andersson IE, Raubacher F, Linusson A.
    J Chem Inf Model; 2011 Feb 28; 51(2):267-82. PubMed ID: 21309544
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  • 18. 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 28; 42(7):921-33. PubMed ID: 17346861
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  • 20. 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]

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