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Journal Abstract Search

634 related items for PubMed ID: 10072678

  • 41. Steering protein-ligand docking with quantitative NMR chemical shift perturbations.
    González-Ruiz D, Gohlke H.
    J Chem Inf Model; 2009 Oct; 49(10):2260-71. PubMed ID: 19795907
    [Abstract] [Full Text] [Related]

  • 42. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
    Stroganov OV, Novikov FN, Stroylov VS, Kulkov V, Chilov GG.
    J Chem Inf Model; 2008 Dec; 48(12):2371-85. PubMed ID: 19007114
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  • 43. Improved protein-ligand docking using GOLD.
    Verdonk ML, Cole JC, Hartshorn MJ, Murray CW, Taylor RD.
    Proteins; 2003 Sep 01; 52(4):609-23. PubMed ID: 12910460
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  • 44. Distance dependent scoring function for describing protein-ligand intermolecular interactions.
    Artemenko N.
    J Chem Inf Model; 2008 Mar 01; 48(3):569-74. PubMed ID: 18290639
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  • 45. 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
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  • 46. Examining methods for calculations of binding free energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA calculations of ligands binding to an HIV protease.
    Sham YY, Chu ZT, Tao H, Warshel A.
    Proteins; 2000 Jun 01; 39(4):393-407. PubMed ID: 10813821
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  • 47. Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space.
    Naïm M, Bhat S, Rankin KN, Dennis S, Chowdhury SF, Siddiqi I, Drabik P, Sulea T, Bayly CI, Jakalian A, Purisima EO.
    J Chem Inf Model; 2007 Jun 01; 47(1):122-33. PubMed ID: 17238257
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  • 48. Bootstrap-based consensus scoring method for protein-ligand docking.
    Fukunishi H, Teramoto R, Takada T, Shimada J.
    J Chem Inf Model; 2008 May 01; 48(5):988-96. PubMed ID: 18426197
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  • 49. 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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  • 50. 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
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  • 51. Supervised consensus scoring for docking and virtual screening.
    Teramoto R, Fukunishi H.
    J Chem Inf Model; 2007 Jan 15; 47(2):526-34. PubMed ID: 17295466
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  • 52. Native atom types for knowledge-based potentials: application to binding energy prediction.
    Dominy BN, Shakhnovich EI.
    J Med Chem; 2004 Aug 26; 47(18):4538-58. PubMed ID: 15317465
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  • 53. Comparative binding energy analysis for binding affinity and target selectivity prediction.
    Henrich S, Feierberg I, Wang T, Blomberg N, Wade RC.
    Proteins; 2010 Jan 26; 78(1):135-53. PubMed ID: 19768680
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  • 54. 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 26; 28(8):1364-72. PubMed ID: 17342720
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  • 55. 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
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  • 56. Knowledge-based interaction fingerprint scoring: a simple method for improving the effectiveness of fast scoring functions.
    Mpamhanga CP, Chen B, McLay IM, Willett P.
    J Chem Inf Model; 2006 Mar 23; 46(2):686-98. PubMed ID: 16562999
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  • 57. Investigation of MM-PBSA rescoring of docking poses.
    Thompson DC, Humblet C, Joseph-McCarthy D.
    J Chem Inf Model; 2008 May 23; 48(5):1081-91. PubMed ID: 18465849
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  • 58. FDS: flexible ligand and receptor docking with a continuum solvent model and soft-core energy function.
    Taylor RD, Jewsbury PJ, Essex JW.
    J Comput Chem; 2003 Oct 23; 24(13):1637-56. PubMed ID: 12926007
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  • 59. 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
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  • 60. Variation of protein binding cavity volume and ligand volume in protein-ligand complexes.
    Saranya N, Selvaraj S.
    Bioorg Med Chem Lett; 2009 Oct 01; 19(19):5769-72. PubMed ID: 19706358
    [Abstract] [Full Text] [Related]

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