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Journal Abstract Search

463 related items for PubMed ID: 17380508

  • 21. Metal-ligand interactions: an analysis of zinc binding groups using the Protein Data Bank.
    Kawai K, Nagata N.
    Eur J Med Chem; 2012 May; 51():271-6. PubMed ID: 22405284
    [Abstract] [Full Text] [Related]

  • 22. 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; 48(10):1990-8. PubMed ID: 18767831
    [Abstract] [Full Text] [Related]

  • 23. An accurate metalloprotein-specific scoring function and molecular docking program devised by a dynamic sampling and iteration optimization strategy.
    Bai F, Liao S, Gu J, Jiang H, Wang X, Li H.
    J Chem Inf Model; 2015 Apr 27; 55(4):833-47. PubMed ID: 25746437
    [Abstract] [Full Text] [Related]

  • 24. 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]

  • 25. LigScore: a novel scoring function for predicting binding affinities.
    Krammer A, Kirchhoff PD, Jiang X, Venkatachalam CM, Waldman M.
    J Mol Graph Model; 2005 Apr 21; 23(5):395-407. PubMed ID: 15781182
    [Abstract] [Full Text] [Related]

  • 26. Distance dependent scoring function for describing protein-ligand intermolecular interactions.
    Artemenko N.
    J Chem Inf Model; 2008 Mar 21; 48(3):569-74. PubMed ID: 18290639
    [Abstract] [Full Text] [Related]

  • 27. 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 21; 44(6):2114-25. PubMed ID: 15554682
    [Abstract] [Full Text] [Related]

  • 28. Novel, customizable scoring functions, parameterized using N-PLS, for structure-based drug discovery.
    Catana C, Stouten PF.
    J Chem Inf Model; 2007 Mar 21; 47(1):85-91. PubMed ID: 17238252
    [Abstract] [Full Text] [Related]

  • 29. Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: application to influenza neuraminidase.
    Bonnet P, Bryce RA.
    J Mol Graph Model; 2005 Oct 21; 24(2):147-56. PubMed ID: 16098779
    [Abstract] [Full Text] [Related]

  • 30. Directed synthesis of a heterobimetallic complex based on a novel unsymmetric double-Schiff-base ligand: preparation, characterization, reactivity and structures of hetero- and homobimetallic nickel(II) and zinc(II) complexes.
    Roth A, Buchholz A, Rudolph M, Schütze E, Kothe E, Plass W.
    Chemistry; 2008 Oct 21; 14(5):1571-83. PubMed ID: 18058956
    [Abstract] [Full Text] [Related]

  • 31. Fluorescence of 5-arylvinyl-5'-methyl-2,2'-bipyridyl ligands and their zinc complexes.
    Younes AH, Zhang L, Clark RJ, Zhu L.
    J Org Chem; 2009 Nov 20; 74(22):8761-72. PubMed ID: 19852467
    [Abstract] [Full Text] [Related]

  • 32. Understanding the binding of inhibitors of matrix metalloproteinases by molecular docking, quantum mechanical calculations, molecular dynamics simulations, and a MMGBSA/MMBappl study.
    Singh T, Adekoya OA, Jayaram B.
    Mol Biosyst; 2015 Apr 20; 11(4):1041-51. PubMed ID: 25611160
    [Abstract] [Full Text] [Related]

  • 33. Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations.
    Vasanthanathan P, Olsen L, Jørgensen FS, Vermeulen NP, Oostenbrink C.
    Drug Metab Dispos; 2010 Aug 20; 38(8):1347-54. PubMed ID: 20413725
    [Abstract] [Full Text] [Related]

  • 34. Molecular aspects of human cellular zinc homeostasis: redox control of zinc potentials and zinc signals.
    Maret W.
    Biometals; 2009 Feb 20; 22(1):149-57. PubMed ID: 19130267
    [Abstract] [Full Text] [Related]

  • 35. A multistep approach to structure-based drug design: studying ligand binding at the human neutrophil elastase.
    Steinbrecher T, Case DA, Labahn A.
    J Med Chem; 2006 Mar 23; 49(6):1837-44. PubMed ID: 16539369
    [Abstract] [Full Text] [Related]

  • 36. Detection of 3D atomic similarities and their use in the discrimination of small molecule protein-binding sites.
    Najmanovich R, Kurbatova N, Thornton J.
    Bioinformatics; 2008 Aug 15; 24(16):i105-11. PubMed ID: 18689810
    [Abstract] [Full Text] [Related]

  • 37. Analysis of zinc-ligand bond lengths in metalloproteins: trends and patterns.
    Tamames B, Sousa SF, Tamames J, Fernandes PA, Ramos MJ.
    Proteins; 2007 Nov 15; 69(3):466-75. PubMed ID: 17623850
    [Abstract] [Full Text] [Related]

  • 38. Extension of QM/MM docking and its applications to metalloproteins.
    Cho AE, Rinaldo D.
    J Comput Chem; 2009 Dec 15; 30(16):2609-16. PubMed ID: 19373896
    [Abstract] [Full Text] [Related]

  • 39. Molecular mechanics methods for predicting protein-ligand binding.
    Huang N, Kalyanaraman C, Bernacki K, Jacobson MP.
    Phys Chem Chem Phys; 2006 Nov 28; 8(44):5166-77. PubMed ID: 17203140
    [Abstract] [Full Text] [Related]

  • 40. Binding of antifusion peptides with HIVgp41 from molecular dynamics simulations: quantitative correlation with experiment.
    Strockbine B, Rizzo RC.
    Proteins; 2007 May 15; 67(3):630-42. PubMed ID: 17335007
    [Abstract] [Full Text] [Related]

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