has output has topic Protein-ligand complex Protein-ligand docking Virtual screening Structure-based screening Ligand-based screening Structured-based virtual screening Virtual screening is used in drug discovery to identify potential drug compounds. It involves searching libraries of small molecules in order to identify those molecules which are most likely to bind to a drug target (typically a protein receptor or enzyme). Ligand-based virtual screening Virtual ligand screening Virtual screening is widely used for lead identification, lead optimization, and scaffold hopping during drug design and discovery. 1.24 Small molecule design Protein interactions