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Journal Abstract Search


195 related items for PubMed ID: 18442132

  • 21.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 22. 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]

  • 23. 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]

  • 24. Novel, customizable scoring functions, parameterized using N-PLS, for structure-based drug discovery.
    Catana C, Stouten PF.
    J Chem Inf Model; 2007 Dec 05; 47(1):85-91. PubMed ID: 17238252
    [Abstract] [Full Text] [Related]

  • 25. The PDBbind database: methodologies and updates.
    Wang R, Fang X, Lu Y, Yang CY, Wang S.
    J Med Chem; 2005 Jun 16; 48(12):4111-9. PubMed ID: 15943484
    [Abstract] [Full Text] [Related]

  • 26. Structural artifacts in protein-ligand X-ray structures: implications for the development of docking scoring functions.
    Søndergaard CR, Garrett AE, Carstensen T, Pollastri G, Nielsen JE.
    J Med Chem; 2009 Sep 24; 52(18):5673-84. PubMed ID: 19711919
    [Abstract] [Full Text] [Related]

  • 27. Docking ligands into flexible and solvated macromolecules. 5. Force-field-based prediction of binding affinities of ligands to proteins.
    Englebienne P, Moitessier N.
    J Chem Inf Model; 2009 Nov 24; 49(11):2564-71. PubMed ID: 19928836
    [Abstract] [Full Text] [Related]

  • 28. DOCKGROUND system of databases for protein recognition studies: unbound structures for docking.
    Gao Y, Douguet D, Tovchigrechko A, Vakser IA.
    Proteins; 2007 Dec 01; 69(4):845-51. PubMed ID: 17803215
    [Abstract] [Full Text] [Related]

  • 29. Leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets.
    Kramer C, Gedeck P.
    J Chem Inf Model; 2010 Nov 22; 50(11):1961-9. PubMed ID: 20936880
    [Abstract] [Full Text] [Related]

  • 30. 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]

  • 31. Binding MOAD (Mother Of All Databases).
    Hu L, Benson ML, Smith RD, Lerner MG, Carlson HA.
    Proteins; 2005 Aug 15; 60(3):333-40. PubMed ID: 15971202
    [Abstract] [Full Text] [Related]

  • 32. 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]

  • 33. 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]

  • 34. 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]

  • 35. Very fast prediction and rationalization of pKa values for protein-ligand complexes.
    Bas DC, Rogers DM, Jensen JH.
    Proteins; 2008 Nov 15; 73(3):765-83. PubMed ID: 18498103
    [Abstract] [Full Text] [Related]

  • 36. Distance dependent scoring function for describing protein-ligand intermolecular interactions.
    Artemenko N.
    J Chem Inf Model; 2008 Mar 15; 48(3):569-74. PubMed ID: 18290639
    [Abstract] [Full Text] [Related]

  • 37. Optimizing the signal-to-noise ratio of scoring functions for protein--ligand docking.
    Seifert MH.
    J Chem Inf Model; 2008 Mar 15; 48(3):602-12. PubMed ID: 18293951
    [Abstract] [Full Text] [Related]

  • 38.
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    [No Abstract] [Full Text] [Related]

  • 39. Knowledge-based scoring functions in drug design: 3. A two-dimensional knowledge-based hydrogen-bonding potential for the prediction of protein-ligand interactions.
    Zheng M, Xiong B, Luo C, Li S, Liu X, Shen Q, Li J, Zhu W, Luo X, Jiang H.
    J Chem Inf Model; 2011 Nov 28; 51(11):2994-3004. PubMed ID: 21999432
    [Abstract] [Full Text] [Related]

  • 40.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]


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