TOUGH-D1

 
   
dataset dataset
 

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.

  
TOUGH-D1
If you use TOUGH-D1, please cite the following paper:
1 Brylinski M. (2018) Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions. Chem Biol Drug Des 91 (2): 380-90.