We also evaluated the water energy and occupation associated with the representative conformations of the simulations by WaterMap . The representative conformations of both compounds show that the water, exists on the site and WaterMap suggest a high energy for the hydration site (Figure , Table ). The estimated energies for the conserved water are DG = +9.52 and +11.37 kcal/mol for LY3537982 and GDC-6036, respectively (Figure , Table ).