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PUBMED FOR HANDHELDS

Journal Abstract Search


413 related items for PubMed ID: 7932757

  • 61. Ligand-protein docking with water molecules.
    Roberts BC, Mancera RL.
    J Chem Inf Model; 2008 Feb; 48(2):397-408. PubMed ID: 18211049
    [Abstract] [Full Text] [Related]

  • 62. Flexible docking using Tabu search and an empirical estimate of binding affinity.
    Baxter CA, Murray CW, Clark DE, Westhead DR, Eldridge MD.
    Proteins; 1998 Nov 15; 33(3):367-82. PubMed ID: 9829696
    [Abstract] [Full Text] [Related]

  • 63. Computer simulation of protein-ligand interactions: challenges and applications.
    Hassan SA, Gracia L, Vasudevan G, Steinbach PJ.
    Methods Mol Biol; 2005 Nov 15; 305():451-92. PubMed ID: 15940011
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  • 64. Multiple ligand simultaneous docking: orchestrated dancing of ligands in binding sites of protein.
    Li H, Li C.
    J Comput Chem; 2010 Jul 30; 31(10):2014-22. PubMed ID: 20166125
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  • 65. A method for biomolecular structural recognition and docking allowing conformational flexibility.
    Sandak B, Nussinov R, Wolfson HJ.
    J Comput Biol; 1998 Jul 30; 5(4):631-54. PubMed ID: 10072081
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  • 66. A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach.
    Estrada T, Zhang B, Cicotti P, Armen RS, Taufer M.
    Comput Biol Med; 2012 Jul 30; 42(7):758-71. PubMed ID: 22658682
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  • 67. Conformational flexibility and protein specificity.
    Roberts GC.
    Ciba Found Symp; 1991 Jul 30; 158():169-82; discussion 182-6, 204-12. PubMed ID: 1935420
    [Abstract] [Full Text] [Related]

  • 68. Computer design of bioactive molecules: a method for receptor-based de novo ligand design.
    Moon JB, Howe WJ.
    Proteins; 1991 Jul 30; 11(4):314-28. PubMed ID: 1758885
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  • 69. Flexible protein-protein docking based on Best-First search algorithm.
    Noy E, Goldblum A.
    J Comput Chem; 2010 Jul 15; 31(9):1929-43. PubMed ID: 20087902
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  • 70. A python-based docking program utilizing a receptor bound ligand shape: PythDock.
    Chung JY, Cho SJ, Hah JM.
    Arch Pharm Res; 2011 Sep 15; 34(9):1451-8. PubMed ID: 21975806
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  • 71. Homology-modelling protein-ligand interactions: allowing for ligand-induced conformational change.
    Dalton JA, Jackson RM.
    J Mol Biol; 2010 Jun 18; 399(4):645-61. PubMed ID: 20434455
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  • 72. Structure-based and multiple potential three-dimensional quantitative structure-activity relationship (SB-MP-3D-QSAR) for inhibitor design.
    Du QS, Gao J, Wei YT, Du LQ, Wang SQ, Huang RB.
    J Chem Inf Model; 2012 Apr 23; 52(4):996-1004. PubMed ID: 22480344
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  • 73. Evaluation of site-directed spin labeling for characterizing protein-ligand complexes using simulated restraints.
    Constantine KL.
    Biophys J; 2001 Sep 23; 81(3):1275-84. PubMed ID: 11509344
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  • 74. Monte Carlo docking with ubiquitin.
    Cummings MD, Hart TN, Read RJ.
    Protein Sci; 1995 May 23; 4(5):885-99. PubMed ID: 7663344
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  • 75. Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA.
    Rastelli G, Del Rio A, Degliesposti G, Sgobba M.
    J Comput Chem; 2010 Mar 23; 31(4):797-810. PubMed ID: 19569205
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  • 76. Exploring hierarchical refinement techniques for induced fit docking with protein and ligand flexibility.
    Borrelli KW, Cossins B, Guallar V.
    J Comput Chem; 2010 Apr 30; 31(6):1224-35. PubMed ID: 19885871
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  • 77. Flexible ligand docking using conformational ensembles.
    Lorber DM, Shoichet BK.
    Protein Sci; 1998 Apr 30; 7(4):938-50. PubMed ID: 9568900
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  • 78. 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 30; 38(8):1347-54. PubMed ID: 20413725
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  • 79. 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
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  • 80. A reliable docking/scoring scheme based on the semiempirical quantum mechanical PM6-DH2 method accurately covering dispersion and H-bonding: HIV-1 protease with 22 ligands.
    Fanfrlík J, Bronowska AK, Rezác J, Prenosil O, Konvalinka J, Hobza P.
    J Phys Chem B; 2010 Oct 07; 114(39):12666-78. PubMed ID: 20839830
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