The obtained values of the docking simulations.

No.	Compound	ΔGLGAAD4			ΔGGAAD4			ΔGVina			ΔGEXPa
		Short	Medium	Long	Short	Medium	Long	Short	Medium	Long
1	Atazanavir	−7.61	−10.46	−14.41	−4.55	−9.50	−8.48	−8.30	−8.20	−8.20	−8.64
2	Candesartan cilexetil	−8.22	−11.19	−11.56	−7.90	−10.88	−11.22	−8.10	−8.10	−8.10	−9.23
3	Chloroquine	−7.41	−8.11	−8.35	−6.79	−7.46	−7.78	−6.10	−6.10	−6.10	−8.56
4	Cimetidine	−6.08	−6.97	−7.32	−5.6	−6.00	−6.14	−6.10	−5.80	−6.10	−7.51
5	Maribavir	−8.59	−10.36	−10.43	−6.82	−7.42	−7.7	−6.60	−6.60	−6.60	−7.51
6	Omeprazole	−8.02	−8.28	−8.54	−7.06	−7.91	−8.09	−7.70	−7.80	−7.70	−8.03
7	Oxytetracycline	−10.06	−10.38	−10.85	−8.77	−8.56	−8.58	−8.20	−8.20	−8.30	−8.22
8	Roxatidine acetate hydrochloride	−7.02	−8.11	−9.47	−5.74	−6.48	−7.13	−7.10	−7.10	−7.10	−8.05
9	Sulfacetamide	−5.53	−5.95	−5.96	−5.28	−5.88	−5.89	−5.80	−5.80	−5.80	−7.51
10	Valacyclovir hydrochloride	−6.08	−8.18	−9.66	−5.58	−5.03	−5.35	−6.50	−6.60	−6.40	−8.16

^aThe experimental binding free energy was obtained through inhibition constant k_i.⁶⁶ The units of energy and force are in kcal mol⁻¹ and pN, respectively.