All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
EleKit2 computes the electrostatic complementarity between a docked ligand and its protein receptor
MolDockLab is a data-driven workflow developed to identify the best balanced consensus Structure-Based Virtual Screening (SBVS) workflow for a target of interest.
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
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