SurfDock

Surface-informed diffusion docking that places ligands in a pocket defined by a reference ligand, then rescores poses with the SurfDock screen model.
Estimated minimum cost: $—

Examples

Protein and pocket

Provide a protein structure (PDB ID or upload) and a reference ligand SDF that defines the binding pocket for SurfDock.

Protein
Reference ligand
or drop a file here
No file selected

Dock ligand

Enter a SMILES string or upload an SDF for the ligand SurfDock should dock into the pocket.

Optional settings

Defaults generate 20 poses. Adjust sampling or pass advanced options only when needed.