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Journal Abstract Search

262 related items for PubMed ID: 17342720

  • 1. 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; 28(8):1364-72. PubMed ID: 17342720
    [Abstract] [Full Text] [Related]

  • 2. 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; 26(11):1089-95. PubMed ID: 15929088
    [Abstract] [Full Text] [Related]

  • 3. 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
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  • 4. An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.
    Wang R, Lu Y, Fang X, Wang S.
    J Chem Inf Comput Sci; 2004 Jun 05; 44(6):2114-25. PubMed ID: 15554682
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  • 5. Supervised consensus scoring for docking and virtual screening.
    Teramoto R, Fukunishi H.
    J Chem Inf Model; 2007 Jun 05; 47(2):526-34. PubMed ID: 17295466
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  • 6. Novel statistical-thermodynamic methods to predict protein-ligand binding positions using probability distribution functions.
    Ruvinsky AM, Kozintsev AV.
    Proteins; 2006 Jan 01; 62(1):202-8. PubMed ID: 16287127
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  • 10. 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
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  • 11. 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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  • 12. Knowledge-based scoring function to predict protein-ligand interactions.
    Gohlke H, Hendlich M, Klebe G.
    J Mol Biol; 2000 Jan 14; 295(2):337-56. PubMed ID: 10623530
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  • 13. Calculations of protein-ligand binding entropy of relative and overall molecular motions.
    Ruvinsky AM.
    J Comput Aided Mol Des; 2007 Jul 14; 21(7):361-70. PubMed ID: 17503189
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  • 15. 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 14; 42(7):921-33. PubMed ID: 17346861
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  • 17. Comparison of consensus scoring strategies for evaluating computational models of protein-ligand complexes.
    Oda A, Tsuchida K, Takakura T, Yamaotsu N, Hirono S.
    J Chem Inf Model; 2006 Jul 14; 46(1):380-91. PubMed ID: 16426072
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  • 19. Using buriedness to improve discrimination between actives and inactives in docking.
    O'Boyle NM, Brewerton SC, Taylor R.
    J Chem Inf Model; 2008 Jun 14; 48(6):1269-78. PubMed ID: 18533645
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