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Supported Applications

DOCK

  • Description

    a molecular docking application used to a) predict binding modes of small molecule-protein complexes; b) search databases of ligands for compounds that inhibit enzyme activity, bind a particular protein, bind nucleic acid targets; c) examine possible binding orientations of protein-protein and protein-DNA complexes; d) help guide synthetic efforts by examining small molecules that are computationally derivatized.

  • Primary Citation*

    D. Moustakas, P. Lang, S. Pegg, E. Pettersen, I. Kuntz, N. Brooijmans, and R. Rizzo. 2006. Development and validation of a modular, extensible docking program: DOCK 5. J Comput Aided Mol Des. 20: 601-619.

    • *Full citation information available through

  • Categories

    Computational Chemistry

  • Default Versions

    Linux 64 6.5
    OS X INTEL 6.5

  • Other Available Versions

    Linux 32 4.0.1
    Linux 32 5.4.0
    Linux 32 6.5
    OS X INTEL 6.0
    powermac 5.4.0

  • Developers

    Scott Brozell, John Irwin.