Find Cryptic Binding Pockets

Find candidate small-molecule binding pockets on a protein structure, including cryptic pockets that are closed in the deposited structure and only open as the protein moves. Runs the open-source Lacuna tool (MIT) in the Cortexa sandbox: a CPU normal-mode conformational ensemble, pocket detection across every state, and a fitted ranker. Reports crypticity, druggability, persistence, volume and lining residues per pocket, overlap with residue ranges of interest, and the pocket PDB files; the code cell can be replayed.