Table 3.

The components of ligand binding free energy with M^pro. The values are in (kcal/mol).

Ligands	Binding Energy	van der Waal Energy	Electrostatic Energy	Polar Solvation Energy	SASA Energy
Boceprevir	−5.83 ± 0.50	−15.52 ± 1.00	−13.54 ± 0.36	25.35 ± 0.57	−2.12 ± 0.03
57841991	−14.32 ± 0.27	−31.88 ± 0.25	−13.85 ± 0.99	35.52 ± 0.28	−4.11 ± 0.22
58605473	−9.01 ± 0.43	–23.64 ± 0.21	−2.83 ± 0.19	20.83 ± 0.41	−3.37 ± 0.33
58606278	−6.48 ± 1.93	−20.25 ± 0.23	−17.78 ± 0.24	34.65 ± 0.50	−3.10 ± 0.03