TOUGH-D1

Aromatic stacking has long been recognized as one of key constituents of drug-protein interfaces. The dataset comprises the experimental structures of 3,079 ligand-protein complexes forming a total number of 8,148 interactions between 4,967 aromatic rings of organic ligands and 5,961 protein residues. It can be employed to evaluate the performance of ligand docking focusing on the modeling of aromatic interactions.