This tutorial presents a cross-docking benchmark experiment. Antibody CR6261 binds to multiple sub- types of influenza antigen hemagglutinin (HA). It has been crystallized with H1 and H5 HA sub-types.
Ligand docking, one of the core tasks in structure-based virtual screening (VS), plays a key role in protein–ligand (PL) binding pose generation, PL binding affinity prediction, PL binding pose ...