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Journal Abstract Search

370 related items for PubMed ID: 15456251

  • 1. Soft docking and multiple receptor conformations in virtual screening.
    Ferrari AM, Wei BQ, Costantino L, Shoichet BK.
    J Med Chem; 2004 Oct 07; 47(21):5076-84. PubMed ID: 15456251
    [Abstract] [Full Text] [Related]

  • 2. 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]

  • 3. A model binding site for testing scoring functions in molecular docking.
    Wei BQ, Baase WA, Weaver LH, Matthews BW, Shoichet BK.
    J Mol Biol; 2002 Sep 13; 322(2):339-55. PubMed ID: 12217695
    [Abstract] [Full Text] [Related]

  • 4. Protein flexibility in ligand docking and virtual screening to protein kinases.
    Cavasotto CN, Abagyan RA.
    J Mol Biol; 2004 Mar 12; 337(1):209-25. PubMed ID: 15001363
    [Abstract] [Full Text] [Related]

  • 5. Information decay in molecular docking screens against holo, apo, and modeled conformations of enzymes.
    McGovern SL, Shoichet BK.
    J Med Chem; 2003 Jul 03; 46(14):2895-907. PubMed ID: 12825931
    [Abstract] [Full Text] [Related]

  • 6. 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]

  • 7. Decoys for docking.
    Graves AP, Brenk R, Shoichet BK.
    J Med Chem; 2005 Jun 02; 48(11):3714-28. PubMed ID: 15916423
    [Abstract] [Full Text] [Related]

  • 8. Benchmarking sets for molecular docking.
    Huang N, Shoichet BK, Irwin JJ.
    J Med Chem; 2006 Nov 16; 49(23):6789-801. PubMed ID: 17154509
    [Abstract] [Full Text] [Related]

  • 9. Virtual screening against metalloenzymes for inhibitors and substrates.
    Irwin JJ, Raushel FM, Shoichet BK.
    Biochemistry; 2005 Sep 20; 44(37):12316-28. PubMed ID: 16156645
    [Abstract] [Full Text] [Related]

  • 10. Flexible ligand docking using conformational ensembles.
    Lorber DM, Shoichet BK.
    Protein Sci; 1998 Apr 20; 7(4):938-50. PubMed ID: 9568900
    [Abstract] [Full Text] [Related]

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  • 13. Ligand-induced conformational changes: improved predictions of ligand binding conformations and affinities.
    Frimurer TM, Peters GH, Iversen LF, Andersen HS, Møller NP, Olsen OH.
    Biophys J; 2003 Apr 20; 84(4):2273-81. PubMed ID: 12668436
    [Abstract] [Full Text] [Related]

  • 14. HarmonyDOCK: the structural analysis of poses in protein-ligand docking.
    Plewczynski D, Philips A, Von Grotthuss M, Rychlewski L, Ginalski K.
    J Comput Biol; 2014 Mar 20; 21(3):247-56. PubMed ID: 21091053
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  • 16. 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]

  • 17. 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
    [Abstract] [Full Text] [Related]

  • 18. Novel inhibitor discovery through virtual screening against multiple protein conformations generated via ligand-directed modeling: a maternal embryonic leucine zipper kinase example.
    Mahasenan KV, Li C.
    J Chem Inf Model; 2012 May 25; 52(5):1345-55. PubMed ID: 22540736
    [Abstract] [Full Text] [Related]

  • 19. Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy.
    Wu Y, Brooks CL.
    J Chem Inf Model; 2021 Nov 22; 61(11):5535-5549. PubMed ID: 34704754
    [Abstract] [Full Text] [Related]

  • 20. 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]

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