Table 2.

Calculated binding free energies of tested compounds (KJ/mol).

Compound	∆G	Van der Waal Energy	Electrostatic Energy	Polar Solvation Energy	SASA Energy
Native	−134.317	−167.815	−170.890	224.374	−19.985
	±89.180	±44.570	±162.416	±119.177	±3.904
Inhibitor 1	−179.038	−185.644	−112.857	140.880	−21.418
	±12.127	±13.649	±34.330	±46.563	±0.989
Inhibitor 2	−86.716	−116.820	−61.125	105.857	−14.629
	±22.650	±15.080	±48.771	±61.576	±2.232