AutoDock
Revision as of 21:15, 6 December 2019 by Moskalenko (talk | contribs) (Text replacement - "#uppercase" to "uc")
Description
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
Required Modules
Serial
- AutoDock
System Variables
- HPC_AUTODOCK_DIR - installation directory
- HPC_AUTODOCK_BIN - executable directory
Citation
If you publish research that uses AutoDock you have to cite it as follows: