Developmemt of an open-source protein-ligand docking platform
Developmemt of an open-source protein-ligand docking platform The software ParaDockS is a framework for molecular docking. Both, optimization algorithm and energy function, can be easily exchanged. The illustration shows the result of a docking simulation employing a particle-swarm optimizer; the trajectories of small spheres (cyan, purple, and green) represent the different generations of three particles during the search for the correct binding pose. The receptor is coagulation factor Xa (cartoon) from the Directory of Useful Decoys with its inhibitor RPR208815 (sticks).
Further information: \link{http://www.paradocks.org/ {paradocks}
