Figure 6
Net free energy component analyses of the studied complexes; netpol(GB/PB): net polar contributions from MM-GBSA/MM-PBSA (netpol(GB/PB) = ΔEele + ΔGGB/PB), netnpol(GB/PB): net non-polar contributions from MM-GBSA/MM-PBSA (netnpol(GB/PB) = ΔEvdW + ΔGSA(GB/PB)).
