Binding free energy of four systems using MMPBSA.

Complex	Binding free (kcal mol−1)	Van der Waals (kcal mol−1)	Electrostatic (kcal mol−1)	Polar solvation (kcal mol−1)	SASA (kcal mol−1)
PSA-LIG1	−36.60	−46.53	−23.87	38.75	−4.95
PSA-LIG2	−35.36	−34.97	−36.75	48.87	−12.51
PSA-Drug1	−33.89	−54.72	−51.95	80.02	−7.24
PSA-Drug2	−30.59	−54.33	−31.80	63.41	−7.87