CBDD

rDock

rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.

pyMDmix

DUck

Dynamic Undocking

openduck

Open-source DUck (Dynamic Undocking)

openduck-tutorial