Fig. 1From: DLIGAND2: an improved knowledge-based energy function for protein–ligand interactions using the distance-scaled, finite, ideal-gas reference stateThe atomic interaction potentials a between ligand type S.3 and main-chain O atom of ASP, or ARG in DLIGAND2, or their common mol2 atom type (O.2) by the DLIGAND, and b between ligand type N.am and atom CB of GLU, or CE of LYS, or their common mol2 type “C.3” by DLIGAND, as a function of distanceBack to article page