Prepare a set of PDB structures and identify possible binding sites with Sitemap. Generate receptor grids with Glide for each site and used to dock ligands [Requires: SiteMap, Glide] [Keywords: binding site, ensemble docking, grid generation, druggability]
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.3 Note: Not all extensions may be displayed.
By using or downloading the workflow, you agree to our terms and conditions.
Discussions are currently not available, please try again later.