where G P L , G P and G L correspond to the free energy contributions of the complex, protein, and ligand respectively. Angular brackets denote that ∆G M M P B/GBSA is computed as the average over all input snapshots, while the subscript "PL" denotes that the snapshots are taken from a single simulation of the protein-ligand complex. G P L , G P and G L are calculated using the following equation: