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Journal Abstract Search

177 related items for PubMed ID: 15929088

  • 1. 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
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  • 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; 28(8):1364-72. PubMed ID: 17342720
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  • 4. The key role of atom types, reference states, and interaction cutoff radii in the knowledge-based method: new variational approach.
    Ruvinsky AM, Kozintsev AV.
    Proteins; 2005 Mar 01; 58(4):845-51. PubMed ID: 15651026
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  • 9. 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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  • 10. Gaussian docking functions.
    McGann MR, Almond HR, Nicholls A, Grant JA, Brown FK.
    Biopolymers; 2003 Jan 01; 68(1):76-90. PubMed ID: 12579581
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  • 11. GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.
    Li H, Li C, Gui C, Luo X, Chen K, Shen J, Wang X, Jiang H.
    Bioorg Med Chem Lett; 2004 Sep 20; 14(18):4671-6. PubMed ID: 15324886
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  • 14. Development and evaluation of a generic evolutionary method for protein-ligand docking.
    Yang JM.
    J Comput Chem; 2004 Apr 30; 25(6):843-57. PubMed ID: 15011256
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  • 15. Critical evaluation of methods to incorporate entropy loss upon binding in high-throughput docking.
    Salaniwal S, Manas ES, Alvarez JC, Unwalla RJ.
    Proteins; 2007 Feb 01; 66(2):422-35. PubMed ID: 17068803
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  • 16. Calculation of configurational entropy with a Boltzmann-quasiharmonic model: the origin of high-affinity protein-ligand binding.
    Harpole KW, Sharp KA.
    J Phys Chem B; 2011 Aug 04; 115(30):9461-72. PubMed ID: 21678965
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  • 19. 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 04; 42(7):921-33. PubMed ID: 17346861
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  • 20. 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
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