Supported Applications
DOCK
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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.
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Usage Notes
Please note that Dock 3 version 3.7-beta4 is available via version override.
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Installation
Use the following command to install this title with the CLI client:$ sbgrid-cli install dock
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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.
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*Full citation information available through
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Webinars
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Keywords
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Default Versions
Linux 64:  6.9_mpi
OS X INTEL:  6.9_mpi -
Other Versions
Linux 64:
6.9, 6.8, 6.5, 3.7-beta4, 3.7.2rc1 -
OS X INTEL:
6.9, 6.8, 6.5, 6.0
Developers
John Irwin, Scott Brozell