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Journal Abstract Search

634 related items for PubMed ID: 10072678

  • 1. A general and fast scoring function for protein-ligand interactions: a simplified potential approach.
    Muegge I, Martin YC.
    J Med Chem; 1999 Mar 11; 42(5):791-804. PubMed ID: 10072678
    [Abstract] [Full Text] [Related]

  • 2. 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 Mar 11; 44(6):2114-25. PubMed ID: 15554682
    [Abstract] [Full Text] [Related]

  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes.
    Zhang C, Liu S, Zhu Q, Zhou Y.
    J Med Chem; 2005 Apr 07; 48(7):2325-35. PubMed ID: 15801826
    [Abstract] [Full Text] [Related]

  • 5. PMF scoring revisited.
    Muegge I.
    J Med Chem; 2006 Oct 05; 49(20):5895-902. PubMed ID: 17004705
    [Abstract] [Full Text] [Related]

  • 6. Estimating protein-ligand binding free energy: atomic solvation parameters for partition coefficient and solvation free energy calculation.
    Pei J, Wang Q, Zhou J, Lai L.
    Proteins; 2004 Dec 01; 57(4):651-64. PubMed ID: 15390269
    [Abstract] [Full Text] [Related]

  • 7. Knowledge-based scoring functions in drug design: 2. Can the knowledge base be enriched?
    Shen Q, Xiong B, Zheng M, Luo X, Luo C, Liu X, Du Y, Li J, Zhu W, Shen J, Jiang H.
    J Chem Inf Model; 2011 Feb 28; 51(2):386-97. PubMed ID: 21192670
    [Abstract] [Full Text] [Related]

  • 8. Information theory-based scoring function for the structure-based prediction of protein-ligand binding affinity.
    Kulharia M, Goody RS, Jackson RM.
    J Chem Inf Model; 2008 Oct 28; 48(10):1990-8. PubMed ID: 18767831
    [Abstract] [Full Text] [Related]

  • 9. Assessing scoring functions for protein-ligand interactions.
    Ferrara P, Gohlke H, Price DJ, Klebe G, Brooks CL.
    J Med Chem; 2004 Jun 03; 47(12):3032-47. PubMed ID: 15163185
    [Abstract] [Full Text] [Related]

  • 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 03; 49(4):1079-93. PubMed ID: 19358517
    [Abstract] [Full Text] [Related]

  • 11. An improved PMF scoring function for universally predicting the interactions of a ligand with protein, DNA, and RNA.
    Zhao X, Liu X, Wang Y, Chen Z, Kang L, Zhang H, Luo X, Zhu W, Chen K, Li H, Wang X, Jiang H.
    J Chem Inf Model; 2008 Jul 03; 48(7):1438-47. PubMed ID: 18553962
    [Abstract] [Full Text] [Related]

  • 12. A general approach for developing system-specific functions to score protein-ligand docked complexes using support vector inductive logic programming.
    Amini A, Shrimpton PJ, Muggleton SH, Sternberg MJ.
    Proteins; 2007 Dec 01; 69(4):823-31. PubMed ID: 17910057
    [Abstract] [Full Text] [Related]

  • 13. Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein-ligand complexes.
    Raha K, Merz KM.
    J Med Chem; 2005 Jul 14; 48(14):4558-75. PubMed ID: 15999994
    [Abstract] [Full Text] [Related]

  • 14. General and targeted statistical potentials for protein-ligand interactions.
    Mooij WT, Verdonk ML.
    Proteins; 2005 Nov 01; 61(2):272-87. PubMed ID: 16106379
    [Abstract] [Full Text] [Related]

  • 15. An all atom energy based computational protocol for predicting binding affinities of protein-ligand complexes.
    Jain T, Jayaram B.
    FEBS Lett; 2005 Dec 05; 579(29):6659-66. PubMed ID: 16307743
    [Abstract] [Full Text] [Related]

  • 16. High resolution fast quantitative docking using Fourier domain correlation techniques.
    Blom NS, Sygusch J.
    Proteins; 1997 Apr 05; 27(4):493-506. PubMed ID: 9141130
    [Abstract] [Full Text] [Related]

  • 17.
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  • 18. FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental data.
    Pearlman DA, Rao BG, Charifson P.
    Proteins; 2008 May 15; 71(3):1519-38. PubMed ID: 18300249
    [Abstract] [Full Text] [Related]

  • 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 15; 42(7):921-33. PubMed ID: 17346861
    [Abstract] [Full Text] [Related]

  • 20. 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]

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