Identification of protein-ligand binding pockets or druggable sites.
Starting with a three-dimensional protein structure / model we identify putative small molecule binding sites taking into consideration pocket size, volume and shape.
Depending on your needs, we can identify new allosteric druggable pockets, evaluate druggability of protein-protein interfaces or prioritize molecular targets by druggability.
Deliverables : Identification of binding sites, scoring and ranking of binding sites based on desired characteristics, written report and presentation to client (x2 - 1 hour call).