Impact of ligand binding on MDM2 lid energetics.

A) Ensemble average of lid-ligand interaction energies E_lig-lid = <E_lig-lid>. B) Changes in ensemble average of lid-core interaction energies ΔE_lid-core = <E_{lid-core,holo}>—<E_lid-core,apo>. C) Changes in ensemble average of lid-lid interaction energies ΔE_lid-lid = <E_lid-lid,holo>—<E_lid-lid,apo>. Lennard-Jones energies are depicted in red, Coulombic energies in blue, and total interaction energies in gray. Energies are shown in kcal.mol^-1.