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Journal Abstract Search

413 related items for PubMed ID: 7932757

  • 21. Flexible ligand docking: a multistep strategy approach.
    Wang J, Kollman PA, Kuntz ID.
    Proteins; 1999 Jul 01; 36(1):1-19. PubMed ID: 10373002
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  • 22. Protein-drug interactions: characterization of inhibitor binding in complexes of DHFR with trimethoprim and related derivatives.
    Fleischman SH, Brooks CL.
    Proteins; 1990 Jul 01; 7(1):52-61. PubMed ID: 2330368
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  • 23. Molecular docking with ligand attached water molecules.
    Lie MA, Thomsen R, Pedersen CN, Schiøtt B, Christensen MH.
    J Chem Inf Model; 2011 Apr 25; 51(4):909-17. PubMed ID: 21452852
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  • 24. 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 25; 73(4):889-901. PubMed ID: 18536013
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  • 25. Evaluation of intermolecular interactions of self-etch dentin adhesive primer molecules with type 1 collagen: computer modeling and in vitro binding analysis.
    Vaidyanathan J, Vaidyanathan TK, Kerrigan JE.
    Acta Biomater; 2007 Sep 25; 3(5):705-14. PubMed ID: 17412657
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  • 26. Structural mining: self-consistent design on flexible protein-peptide docking and transferable binding affinity potential.
    Liu Z, Dominy BN, Shakhnovich EI.
    J Am Chem Soc; 2004 Jul 14; 126(27):8515-28. PubMed ID: 15238009
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  • 27. Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system.
    Dauber-Osguthorpe P, Roberts VA, Osguthorpe DJ, Wolff J, Genest M, Hagler AT.
    Proteins; 1988 Jul 14; 4(1):31-47. PubMed ID: 3054871
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  • 28. PSI-DOCK: towards highly efficient and accurate flexible ligand docking.
    Pei J, Wang Q, Liu Z, Li Q, Yang K, Lai L.
    Proteins; 2006 Mar 01; 62(4):934-46. PubMed ID: 16395666
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  • 29. Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductase.
    Garcia-Viloca M, Truhlar DG, Gao J.
    Biochemistry; 2003 Nov 25; 42(46):13558-75. PubMed ID: 14622003
    [Abstract] [Full Text] [Related]

  • 30. Identification of the optimal third generation antifolate against P. falciparum and P. vivax.
    Hunt SY, Detering C, Varani G, Jacobus DP, Schiehser GA, Shieh HM, Nevchas I, Terpinski J, Sibley CH.
    Mol Biochem Parasitol; 2005 Dec 25; 144(2):198-205. PubMed ID: 16181688
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  • 31. Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein.
    Murata K, Nagata N, Nakanishi I, Kitaura K.
    J Comput Chem; 2010 Mar 25; 31(4):791-6. PubMed ID: 19569185
    [Abstract] [Full Text] [Related]

  • 32. Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.
    van Lipzig MM, ter Laak AM, Jongejan A, Vermeulen NP, Wamelink M, Geerke D, Meerman JH.
    J Med Chem; 2004 Feb 12; 47(4):1018-30. PubMed ID: 14761204
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  • 33. Fully automated flexible docking of ligands into flexible synthetic receptors using forward and inverse docking strategies.
    Kämper A, Apostolakis J, Rarey M, Marian CM, Lengauer T.
    J Chem Inf Model; 2006 Feb 12; 46(2):903-11. PubMed ID: 16563022
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  • 34. Fragment-Based flexible ligand docking by evolutionary optimization.
    Budin N, Majeux N, Caflisch A.
    Biol Chem; 2001 Sep 12; 382(9):1365-72. PubMed ID: 11688719
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  • 35. HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.
    Floriano WB, Vaidehi N, Zamanakos G, Goddard WA.
    J Med Chem; 2004 Jan 01; 47(1):56-71. PubMed ID: 14695820
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  • 36. Modeling side-chains using molecular dynamics improve recognition of binding region in CAPRI targets.
    Camacho CJ.
    Proteins; 2005 Aug 01; 60(2):245-51. PubMed ID: 15981253
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  • 37. Docking ligands into flexible and solvated macromolecules. 3. Impact of input ligand conformation, protein flexibility, and water molecules on the accuracy of docking programs.
    Corbeil CR, Moitessier N.
    J Chem Inf Model; 2009 Apr 01; 49(4):997-1009. PubMed ID: 19391631
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  • 38. VISCANA: visualized cluster analysis of protein-ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening.
    Amari S, Aizawa M, Zhang J, Fukuzawa K, Mochizuki Y, Iwasawa Y, Nakata K, Chuman H, Nakano T.
    J Chem Inf Model; 2006 Apr 01; 46(1):221-30. PubMed ID: 16426058
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  • 39. Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
    Lee H, Reyes VM, Kraut J.
    Biochemistry; 1996 Jun 04; 35(22):7012-20. PubMed ID: 8679526
    [Abstract] [Full Text] [Related]

  • 40. PRL-Dock: protein-ligand docking based on hydrogen bond matching and probabilistic relaxation labeling.
    Wu MY, Dai DQ, Yan H.
    Proteins; 2012 Aug 04; 80(9):2137-53. PubMed ID: 22544808
    [Abstract] [Full Text] [Related]

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