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 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
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
Webinars

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