Hello,

Which are the updated and readily available drug bound complexes or protein-ligand datasets available for drug binding residue prediction? If not, then how to generate them? I mean how and from where does one access such information to form a dataset to identify drug binding residue? If available then, how to extract the drug binding residue information? Also, how do one identify that its a small molecule, a drug, a ligand or a substrate? Thanks in advance.