All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.

EleKit2 computes the electrostatic complementarity between a docked ligand and its protein receptor

LigGrep is a program for identifying docked poses that participate in user-specified receptor/ligand interactions. It evaluates each docked pose and outputs the names of the compounds with poses that pass all filters.

EleKit measures the similarity of electrostatic potentials between a small molecule and a protein.

mirror of vina.scripps.edu/download v1.1.2

mirror of https://gitlab.com/CaflischLab/SEED