Table 1.

The energy component for binding free energy of ∆GMM-PBSA

	∆EvdW a (kcal/mol)	∆Eele b (kcal/mol)	∆Gpol c (kcal/mol)	∆Gnonpol d (kcal/mol)	-T∆S	∆Gbind e (kcal/mol)
Progesterone	− 52.9	− 21.5	37.5	− 3.8	9.1	− 31.6
Apigenin	− 39.1	− 30.0	46.8	− 3.1	9.9	− 15.5

^avan der Waals contribution

^bElectrostatic energy

^cPolar solvation free energy

^dNonpolar solvation free energy

^eBinding free energy