To our surprise, only in one set did the inclusion of ligand deformation energy and ligand conformational entropy have a positive impact (Figure ). In half of the other sets, they either caused no change or had a detrimental effect. It is also noteworthy that the inclusion of ligand conformational entropy to ∆H barely changes the accuracy of scoring. Overall, there was no clear reward from the explicit calculation of ligand deformation energy and ligand conformation entropy despite the huge computational burden they entail.