GeauxDock

 
 
standalone
 

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.

  
GeauxDock
If you use GeauxDockd, please cite the following papers:
1 Ding Y, Fang Y, Feinstein WP, Ramanujam J, Koppelman DM, Moreno J, Brylinski M, Jarrell M. (2015) GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field. J Comput Chem 36 (27): 2013-26.     
2 Fang Y, Ding Y, Feinstein WP, Koppelman DM, Moreno J, Jarrell M, Ramanujam J, Brylinski M. (2016) GeauxDock: Accelerating structure-based virtual screening with heterogeneous computing. PLoS ONE 11 (7): e0158898.