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.

More Information

For more information visit the AutoDock website.

Available Versions

These versions of AutoDock are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Version BEAR Apps Version
4.2.6-GCC-8.3.0 2019b