Table 1. The energies for the binding between the small molecules and NA.

Molecules	(vdW + Hbond + desolv) energy(kcal/mol)	Electrostatic energy (kcal/mol)	Total Internal energy (kcal/mol)	The best docking energy (kcal/mol)	Inhibition constant (nM)
Zanamvir	−11.1	−3.1	−17.92	−11.24	5.73
Quercetin	−8.09	−0.59	−19.65	−10.23	31.97
Chlorogenic acid	−11.1	−2.49	−22.43	−11.05	7.98