Table 1. Binding Energies Computed by Nwat-MMGBSA Analysis (Nwat = 30) of the Last 20 ns of the MD Trajectories of P0–P3 and JIL.

	ΔEbind (kcal/mol)
P0	–58.4 ± 3.7
P1	–55.3 ± 4.6
P2	–53.6 ± 3.9
P3	–55.8 ± 3.9
JIL	–75.3 ± 5.7