Binding-Site Detector

Find ligandable pockets on a protein and emit Vina-shaped docking boxes. Chain the pocket table into AutoDock Vina, DrugFlow, or SurfDock workflows — standalone Vina still keeps in-process P2Rank.
Estimated minimum cost: $—

Examples

Input

Provide a PDB ID or upload a protein structure. Optionally override the reference ligand used by downstream DrugFlow / SurfDock steps.

Protein structure
Reference ligand (optional)

Overrides the holo or dummy SDF emitted for workflow chaining.

or drop a file here

Detection options

Choose an engine, how many pockets to keep per engine, and the padding added to each Vina box. A dummy centroid SDF is written when no crystal ligand is found so downstream docking and generation steps can bind a reference ligand.