GeauxDock Software

GeauxDock is an ultra-fast automated docking program, designed to predict how small ligands bind to pharmacologically relevant macromolecules. GeauxDock employs a novel hybrid force field, a mixed-resolution representation of protein-ligand complexes, and a Monte Carlo protocol for the efficient sampling of conformational space.
If you use GeauxDock, please cite the following papers:

GeauxDock is free of charge under the terms of LA-SiGMA APPLICATION LICENSE version 1.0 for non-commercial use. It is distributed without any warranty, but with best wishes.

Software distribution


© Michal Brylinski
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