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Journal Abstract Search

220 related items for PubMed ID: 9047373

  • 1. Molecular docking to ensembles of protein structures.
    Knegtel RM, Kuntz ID, Oshiro CM.
    J Mol Biol; 1997 Feb 21; 266(2):424-40. PubMed ID: 9047373
    [Abstract] [Full Text] [Related]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. FlexE: efficient molecular docking considering protein structure variations.
    Claussen H, Buning C, Rarey M, Lengauer T.
    J Mol Biol; 2001 Apr 27; 308(2):377-95. PubMed ID: 11327774
    [Abstract] [Full Text] [Related]

  • 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 27; 24(13):1637-56. PubMed ID: 12926007
    [Abstract] [Full Text] [Related]

  • 5. Pharmacophore-based molecular docking to account for ligand flexibility.
    Joseph-McCarthy D, Thomas BE, Belmarsh M, Moustakas D, Alvarez JC.
    Proteins; 2003 May 01; 51(2):172-88. PubMed ID: 12660987
    [Abstract] [Full Text] [Related]

  • 6. A semiempirical free energy force field with charge-based desolvation.
    Huey R, Morris GM, Olson AJ, Goodsell DS.
    J Comput Chem; 2007 Apr 30; 28(6):1145-52. PubMed ID: 17274016
    [Abstract] [Full Text] [Related]

  • 7. Ligand-induced conformational changes in ras p21: a normal mode and energy minimization analysis.
    Ma J, Karplus M.
    J Mol Biol; 1997 Nov 21; 274(1):114-31. PubMed ID: 9398520
    [Abstract] [Full Text] [Related]

  • 8. 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]

  • 9. 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]

  • 10. 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
    [Abstract] [Full Text] [Related]

  • 11. Effect of input differences on the results of docking calculations.
    Feher M, Williams CI.
    J Chem Inf Model; 2009 Jul 03; 49(7):1704-14. PubMed ID: 19530660
    [Abstract] [Full Text] [Related]

  • 12. Protein-ligand docking against non-native protein conformers.
    Verdonk ML, Mortenson PN, Hall RJ, Hartshorn MJ, Murray CW.
    J Chem Inf Model; 2008 Nov 03; 48(11):2214-25. PubMed ID: 18954138
    [Abstract] [Full Text] [Related]

  • 13. Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case.
    Meagher KL, Carlson HA.
    J Am Chem Soc; 2004 Oct 20; 126(41):13276-81. PubMed ID: 15479081
    [Abstract] [Full Text] [Related]

  • 14. Flexible protein-flexible ligand docking with disrupted velocity simulated annealing.
    Huang Z, Wong CF, Wheeler RA.
    Proteins; 2008 Apr 20; 71(1):440-54. PubMed ID: 17957770
    [Abstract] [Full Text] [Related]

  • 15. Rapid refinement of protein interfaces incorporating solvation: application to the docking problem.
    Jackson RM, Gabb HA, Sternberg MJ.
    J Mol Biol; 1998 Feb 13; 276(1):265-85. PubMed ID: 9514726
    [Abstract] [Full Text] [Related]

  • 16. Automated generation of MCSS-derived pharmacophoric DOCK site points for searching multiconformation databases.
    Joseph-McCarthy D, Alvarez JC.
    Proteins; 2003 May 01; 51(2):189-202. PubMed ID: 12660988
    [Abstract] [Full Text] [Related]

  • 17. 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]

  • 18. De novo ligand design to an ensemble of protein structures.
    Todorov NP, Buenemann CL, Alberts IL.
    Proteins; 2006 Jul 01; 64(1):43-59. PubMed ID: 16555306
    [Abstract] [Full Text] [Related]

  • 19. Exploring experimental sources of multiple protein conformations in structure-based drug design.
    Damm KL, Carlson HA.
    J Am Chem Soc; 2007 Jul 04; 129(26):8225-35. PubMed ID: 17555316
    [Abstract] [Full Text] [Related]

  • 20. Computational sampling of a cryptic drug binding site in a protein receptor: explicit solvent molecular dynamics and inhibitor docking to p38 MAP kinase.
    Frembgen-Kesner T, Elcock AH.
    J Mol Biol; 2006 May 26; 359(1):202-14. PubMed ID: 16616932
    [Abstract] [Full Text] [Related]

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