From: Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms
Ligand atom types
Protein atom types
ACC
NEG
DON
POS
HDX
ALP
ARM
C_l
0
1
C_r
N_+
2
N_d
N_a
N_r
O_a
O_-
O_h