The attached protocol helps filter ligands or ligand poses (e.g. those obtained after docking) based on their hydrogen bond and/or hydrophobic interaction with specific interaction sites on the protein.
How to use:
(1) Down the attachment and unzip it. It consists of the protocol and sample files.
(2) Open Discovery Studio 2.1 client
(3) In the protocol explorer panel, right click at your
(4) Double click on the protocol to open its parameter explorer.
