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Journal Abstract Search

320 related items for PubMed ID: 15382244

  • 1. FlexX-Scan: fast, structure-based virtual screening.
    Schellhammer I, Rarey M.
    Proteins; 2004 Nov 15; 57(3):504-17. PubMed ID: 15382244
    [Abstract] [Full Text] [Related]

  • 2. Flexible docking under pharmacophore type constraints.
    Hindle SA, Rarey M, Buning C, Lengaue T.
    J Comput Aided Mol Des; 2002 Feb 15; 16(2):129-49. PubMed ID: 12188022
    [Abstract] [Full Text] [Related]

  • 3. Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking.
    Kramer B, Rarey M, Lengauer T.
    Proteins; 1999 Nov 01; 37(2):228-41. PubMed ID: 10584068
    [Abstract] [Full Text] [Related]

  • 4. Docking of hydrophobic ligands with interaction-based matching algorithms.
    Rarey M, Kramer B, Lengauer T.
    Bioinformatics; 1999 Mar 01; 15(3):243-50. PubMed ID: 10222412
    [Abstract] [Full Text] [Related]

  • 5. The FlexX database docking environment--rational extraction of receptor based pharmacophores.
    Claussen H, Gastreich M, Apelt V, Greene J, Hindle SA, Lemmen C.
    Curr Drug Discov Technol; 2004 Jan 01; 1(1):49-60. PubMed ID: 16472219
    [Abstract] [Full Text] [Related]

  • 6. GALAHAD: 1. pharmacophore identification by hypermolecular alignment of ligands in 3D.
    Richmond NJ, Abrams CA, Wolohan PR, Abrahamian E, Willett P, Clark RD.
    J Comput Aided Mol Des; 2006 Sep 01; 20(9):567-87. PubMed ID: 17051338
    [Abstract] [Full Text] [Related]

  • 7. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
    Stroganov OV, Novikov FN, Stroylov VS, Kulkov V, Chilov GG.
    J Chem Inf Model; 2008 Dec 01; 48(12):2371-85. PubMed ID: 19007114
    [Abstract] [Full Text] [Related]

  • 8. Comparison of structure- and ligand-based virtual screening protocols considering hit list complementarity and enrichment factors.
    Krüger DM, Evers A.
    ChemMedChem; 2010 Jan 01; 5(1):148-58. PubMed ID: 19908272
    [Abstract] [Full Text] [Related]

  • 9. Critical assessment of the automated AutoDock as a new docking tool for virtual screening.
    Park H, Lee J, Lee S.
    Proteins; 2006 Nov 15; 65(3):549-54. PubMed ID: 16988956
    [Abstract] [Full Text] [Related]

  • 10. A common feature-based 3D-pharmacophore model generation and virtual screening: identification of potential PfDHFR inhibitors.
    Adane L, Bharatam PV, Sharma V.
    J Enzyme Inhib Med Chem; 2010 Oct 15; 25(5):635-45. PubMed ID: 19995305
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. Virtual screening and scaffold hopping based on GRID molecular interaction fields.
    Ahlström MM, Ridderström M, Luthman K, Zamora I.
    J Chem Inf Model; 2005 Apr 27; 45(5):1313-23. PubMed ID: 16180908
    [Abstract] [Full Text] [Related]

  • 13. Time-efficient docking of flexible ligands into active sites of proteins.
    Rarey M, Kramer B, Lengauer T.
    Proc Int Conf Intell Syst Mol Biol; 1995 Apr 27; 3():300-8. PubMed ID: 7584452
    [Abstract] [Full Text] [Related]

  • 14. Improved FlexX docking using FlexS-determined base fragment placement.
    Cross SS.
    J Chem Inf Model; 2005 Apr 27; 45(4):993-1001. PubMed ID: 16045293
    [Abstract] [Full Text] [Related]

  • 15. Binding site characteristics in structure-based virtual screening: evaluation of current docking tools.
    Schulz-Gasch T, Stahl M.
    J Mol Model; 2003 Feb 27; 9(1):47-57. PubMed ID: 12638011
    [Abstract] [Full Text] [Related]

  • 16. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
    Zhang X, Wong SE, Lightstone FC.
    J Chem Inf Model; 2014 Jan 27; 54(1):324-37. PubMed ID: 24358939
    [Abstract] [Full Text] [Related]

  • 17. Prediction of multiple binding modes of the CDK2 inhibitors, anilinopyrazoles, using the automated docking programs GOLD, FlexX, and LigandFit: an evaluation of performance.
    Sato H, Shewchuk LM, Tang J.
    J Chem Inf Model; 2006 Jan 27; 46(6):2552-62. PubMed ID: 17125195
    [Abstract] [Full Text] [Related]

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