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Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

299 related items for PubMed ID: 16156645

  • 61. Ligand-target interaction-based weighting of substructures for virtual screening.
    Crisman TJ, Sisay MT, Bajorath J.
    J Chem Inf Model; 2008 Oct; 48(10):1955-64. PubMed ID: 18821751
    [Abstract] [Full Text] [Related]

  • 62. Evaluating scoring functions for docking and designing beta-secretase inhibitors.
    Katharine Holloway M, McGaughey GB, Coburn CA, Stachel SJ, Jones KG, Stanton EL, Gregro AR, Lai MT, Crouthamel MC, Pietrak BL, Munshi SK.
    Bioorg Med Chem Lett; 2007 Feb 01; 17(3):823-7. PubMed ID: 17107793
    [Abstract] [Full Text] [Related]

  • 63. 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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  • 64. Virtual screen for ligands of orphan G protein-coupled receptors.
    Bock JR, Gough DA.
    J Chem Inf Model; 2005 Jun 01; 45(5):1402-14. PubMed ID: 16180917
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  • 65. New leads of metallo-beta-lactamase inhibitors from structure-based pharmacophore design.
    Olsen L, Jost S, Adolph HW, Pettersson I, Hemmingsen L, Jørgensen FS.
    Bioorg Med Chem; 2006 Apr 15; 14(8):2627-35. PubMed ID: 16378729
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  • 66. Design of fructose-2,6-bisphosphatase inhibitors: a novel virtual screening approach.
    Shaikh MS, Mittal A, Bharatam PV.
    J Mol Graph Model; 2008 Feb 15; 26(6):900-6. PubMed ID: 17644015
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  • 68. Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.
    Cross JB, Thompson DC, Rai BK, Baber JC, Fan KY, Hu Y, Humblet C.
    J Chem Inf Model; 2009 Jun 15; 49(6):1455-74. PubMed ID: 19476350
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  • 69. Discovering potassium channel blockers from synthetic compound database by using structure-based virtual screening in conjunction with electrophysiological assay.
    Liu H, Gao ZB, Yao Z, Zheng S, Li Y, Zhu W, Tan X, Luo X, Shen J, Chen K, Hu GY, Jiang H.
    J Med Chem; 2007 Jan 11; 50(1):83-93. PubMed ID: 17201412
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  • 71. A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors.
    Moitessier N, Therrien E, Hanessian S.
    J Med Chem; 2006 Oct 05; 49(20):5885-94. PubMed ID: 17004704
    [Abstract] [Full Text] [Related]

  • 72. Protein-ligand docking against non-native protein conformers.
    Verdonk ML, Mortenson PN, Hall RJ, Hartshorn MJ, Murray CW.
    J Chem Inf Model; 2008 Nov 05; 48(11):2214-25. PubMed ID: 18954138
    [Abstract] [Full Text] [Related]

  • 73. 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 05; 73(4):889-901. PubMed ID: 18536013
    [Abstract] [Full Text] [Related]

  • 74. Docking ligands into flexible and solvated macromolecules. 2. Development and application of fitted 1.5 to the virtual screening of potential HCV polymerase inhibitors.
    Corbeil CR, Englebienne P, Yannopoulos CG, Chan L, Das SK, Bilimoria D, L'heureux L, Moitessier N.
    J Chem Inf Model; 2008 Apr 05; 48(4):902-9. PubMed ID: 18341269
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  • 79. PM3-compatible zinc parameters optimized for metalloenzyme active sites.
    Brothers EN, Suarez D, Deerfield DW, Merz KM.
    J Comput Chem; 2004 Nov 15; 25(14):1677-92. PubMed ID: 15362125
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