Figure 4From: Insights into the mechanism of C5aR inhibition by PMX53 via implicit solvent molecular dynamics simulations and dockingMM-GBSA interaction free-energies (kcal/mol) for all interacting protein-ligand residue pairs in binding mode 22. Panels A and B correspond, respectively, to energies of non-polar and polar interactions, as defined in Eq. (3).Back to article page