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Journal Abstract Search

165 related items for PubMed ID: 17238252

  • 1. Novel, customizable scoring functions, parameterized using N-PLS, for structure-based drug discovery.
    Catana C, Stouten PF.
    J Chem Inf Model; 2007; 47(1):85-91. PubMed ID: 17238252
    [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; 44(6):2114-25. PubMed ID: 15554682
    [Abstract] [Full Text] [Related]

  • 3. 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; 49(4):1079-93. PubMed ID: 19358517
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. 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]

  • 6. 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]

  • 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 14; 42(7):921-33. PubMed ID: 17346861
    [Abstract] [Full Text] [Related]

  • 8. Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions.
    Deng Z, Chuaqui C, Singh J.
    J Med Chem; 2004 Jan 15; 47(2):337-44. PubMed ID: 14711306
    [Abstract] [Full Text] [Related]

  • 9. Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
    Schormann N, Senkovich O, Walker K, Wright DL, Anderson AC, Rosowsky A, Ananthan S, Shinkre B, Velu S, Chattopadhyay D.
    Proteins; 2008 Dec 15; 73(4):889-901. PubMed ID: 18536013
    [Abstract] [Full Text] [Related]

  • 10. 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]

  • 11. 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]

  • 12. SeleX-CS: a new consensus scoring algorithm for hit discovery and lead optimization.
    Bar-Haim S, Aharon A, Ben-Moshe T, Marantz Y, Senderowitz H.
    J Chem Inf Model; 2009 Mar 03; 49(3):623-33. PubMed ID: 19231809
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. Computational protocol for predicting the binding affinities of zinc containing metalloprotein-ligand complexes.
    Jain T, Jayaram B.
    Proteins; 2007 Jun 01; 67(4):1167-78. PubMed ID: 17380508
    [Abstract] [Full Text] [Related]

  • 15. Drug efficiency indices for improvement of molecular docking scoring functions.
    García-Sosa AT, Hetényi C, Maran U.
    J Comput Chem; 2010 Jan 15; 31(1):174-84. PubMed ID: 19422000
    [Abstract] [Full Text] [Related]

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  • 17. Predicting protein-ligand binding affinities: a low scoring game?
    Marsden PM, Puvanendrampillai D, Mitchell JB, Glen RC.
    Org Biomol Chem; 2004 Nov 21; 2(22):3267-73. PubMed ID: 15534704
    [Abstract] [Full Text] [Related]

  • 18. BALLDock/SLICK: a new method for protein-carbohydrate docking.
    Kerzmann A, Fuhrmann J, Kohlbacher O, Neumann D.
    J Chem Inf Model; 2008 Aug 21; 48(8):1616-25. PubMed ID: 18646839
    [Abstract] [Full Text] [Related]

  • 19. Ligand bias of scoring functions in structure-based virtual screening.
    Jacobsson M, Karlén A.
    J Chem Inf Model; 2006 Aug 21; 46(3):1334-43. PubMed ID: 16711752
    [Abstract] [Full Text] [Related]

  • 20. Complex-type-dependent scoring functions in protein-protein docking.
    Li CH, Ma XH, Shen LZ, Chang S, Chen WZ, Wang CX.
    Biophys Chem; 2007 Aug 21; 129(1):1-10. PubMed ID: 17540496
    [Abstract] [Full Text] [Related]

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