The substrate binding free energy was calculated by the Protein Dipoles Langevin Dipoles method in its linear response approximation (PDLD/S-LRA)-using a sampling of 4 different configurations collected at every 10 ps of successive MD relaxation. In these calculations, we used a dielectric constant of 4, whose effect accounts for the poor configurational sampling and lack of nuclear and electronic polarization effects. To ensure the reproducibility of our results, we have included both our docked structures, parameters, and the complete input files in the Supporting Information.