PyFepRestr is a plug-in designed to set restraints on ligand atoms in the active center of a protein, as suggested by Boresch et al. [1] and used in free energy calculations with the Gromacs molecular ...

This PyMOL plugin is designed to process, filter, and analyze SwissDock docking results. It automates the extraction of ligand binding poses, filters them based on their distance to specific binding ...