The difference between a single-pose ∆E int and ∆G These include conformational averaging (which is not included in the present work), the differential solvation energy between the protein-ligand complex and its separated constituents (denoted ∆G • solvn below), and finally the change intramolecular vibrational entropy (-T ∆S vib where ∆S vib is the change in vibrational entropy upon complexation). Following Ref. 36, one may express the free energy according to