Figure : The overview of cross-docking for multiple ligands into multiple targets A computational method applied in structural biology and drug development to dock many ligands into a binding region of a target protein. Cross-docking is unlike conventional docking, which concentrates on a single ligand-target complex in that it allows the evaluation of ligand binding modes and interactions across several ligand-target combinations by docking a varied range of ligands into a single protein structure. This method improves the development of structure-based drug design techniques by helping to comprehend protein-ligand recognition patterns and pointing up shared binding motifs ( ).