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Journal Abstract Search

127 related items for PubMed ID: 14696075

  • 1. Automated docking of highly flexible ligands by genetic algorithms: a critical assessment.
    Cecchini M, Kolb P, Majeux N, Caflisch A.
    J Comput Chem; 2004 Feb; 25(3):412-22. PubMed ID: 14696075
    [Abstract] [Full Text] [Related]

  • 2. Fragment-Based flexible ligand docking by evolutionary optimization.
    Budin N, Majeux N, Caflisch A.
    Biol Chem; 2001 Sep; 382(9):1365-72. PubMed ID: 11688719
    [Abstract] [Full Text] [Related]

  • 3. GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.
    Li H, Li C, Gui C, Luo X, Chen K, Shen J, Wang X, Jiang H.
    Bioorg Med Chem Lett; 2004 Sep 20; 14(18):4671-6. PubMed ID: 15324886
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  • 4. 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 20; 24(13):1637-56. PubMed ID: 12926007
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  • 5. Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine.
    Jain AN.
    J Med Chem; 2003 Feb 13; 46(4):499-511. PubMed ID: 12570372
    [Abstract] [Full Text] [Related]

  • 6. SDOCKER: a method utilizing existing X-ray structures to improve docking accuracy.
    Wu G, Vieth M.
    J Med Chem; 2004 Jun 03; 47(12):3142-8. PubMed ID: 15163194
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  • 7. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Perola E, Walters WP, Charifson PS.
    Proteins; 2004 Aug 01; 56(2):235-49. PubMed ID: 15211508
    [Abstract] [Full Text] [Related]

  • 8. 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]

  • 9. Development and validation of a genetic algorithm for flexible docking.
    Jones G, Willett P, Glen RC, Leach AR, Taylor R.
    J Mol Biol; 1997 Apr 04; 267(3):727-48. PubMed ID: 9126849
    [Abstract] [Full Text] [Related]

  • 10. Testing a flexible-receptor docking algorithm in a model binding site.
    Wei BQ, Weaver LH, Ferrari AM, Matthews BW, Shoichet BK.
    J Mol Biol; 2004 Apr 09; 337(5):1161-82. PubMed ID: 15046985
    [Abstract] [Full Text] [Related]

  • 11. Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy.
    Erickson JA, Jalaie M, Robertson DH, Lewis RA, Vieth M.
    J Med Chem; 2004 Jan 01; 47(1):45-55. PubMed ID: 14695819
    [Abstract] [Full Text] [Related]

  • 12. An example of a protein ligand found by database mining: description of the docking method and its verification by a 2.3 A X-ray structure of a thrombin-ligand complex.
    Burkhard P, Taylor P, Walkinshaw MD.
    J Mol Biol; 1998 Mar 27; 277(2):449-66. PubMed ID: 9514757
    [Abstract] [Full Text] [Related]

  • 13. Rapid protein-ligand docking using soft modes from molecular dynamics simulations to account for protein deformability: binding of FK506 to FKBP.
    Zacharias M.
    Proteins; 2004 Mar 01; 54(4):759-67. PubMed ID: 14997571
    [Abstract] [Full Text] [Related]

  • 14. A pharmacophore docking algorithm and its application to the cross-docking of 18 HIV-NNRTI's in their binding pockets.
    Daeyaert F, de Jonge M, Heeres J, Koymans L, Lewi P, Vinkers MH, Janssen PA.
    Proteins; 2004 Feb 15; 54(3):526-33. PubMed ID: 14748000
    [Abstract] [Full Text] [Related]

  • 15. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY, Zou X.
    Proteins; 2007 Feb 01; 66(2):399-421. PubMed ID: 17096427
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  • 18. SODOCK: swarm optimization for highly flexible protein-ligand docking.
    Chen HM, Liu BF, Huang HL, Hwang SF, Ho SY.
    J Comput Chem; 2007 Jan 30; 28(2):612-23. PubMed ID: 17186483
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