/tools/rxdock
rxdock
rxdock/rxdock
summary
RxDock is an open-source docking program that facilitates the docking of small molecules to proteins and nucleic acids. It is optimized for high-throughput virtual screening and binding mode prediction, allowing researchers to efficiently explore ligand interactions.
description
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
topics
dockingmolecular-dockingvirtual-screeningligand-screeningdrug-discoveryprotein-drug-interactionsprotein-ligand-dockingprotein-ligand-interactionsprotein-ligand-binding-conformationprotein-ligand-interfacescxxcxx11pythonpython3
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