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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. Dock is offered in the SBGrid collection in two iterations, Dock 3 and Dock 6.

  • Usage

    To list all executables provided by DOCK, run: $ sbgrid-list dock Copy to clipboard

  • Usage Notes

    Please note that Dock 3 version 3.7-beta4 is available via version override.

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install dock Copy to clipboard Available operating systems: Linux 64, OS X INTEL

  • Primary Citation*

    P. T. Lang, S. R. Brozell, S. Mukherjee, E. F. Pettersen, E. C. Meng, V. Thomas, R. Rizzo, D. A. Case, T. L. James, and I. D. Kuntz. 2009. DOCK 6: combining techniques to model RNA-small molecule complexes. RNA. 15(6): 1219-1230.


    • *Full citation information available through

  • Webinars

    Dock

    Topic: DOCK: Where it is and where its going
    Presenter: Trent Balius, Ph.D. , Postdoctoral Scholar, Shoichet Lab, University of California, San Francisco

    Recorded on June 20, 2017
    Host: Jason Key

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  6.9_mpi (207.6 MB)
    OS X INTEL:  6.9_mpi (205.0 MB)

  • Other Versions

      Linux 64:

      3.7.2rc1 (1006.1 MB) , 3.7-beta4 (569.0 MB) , 6.11 (117.6 MB) , 6.5 (47.9 MB) , 6.8 (93.2 MB) , 6.9 (109.7 MB)

    • OS X INTEL:

      6.0 (59.9 MB) , 6.5 (44.9 MB) , 6.8 (92.8 MB) , 6.9 (204.8 MB)

  • Developers

    John Irwin, Scott Brozell

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