Table 5.

Table representing the Van der Waal, electrostatic, polar salvation, SASA, and binding energy for protein–ligand complexes

Protein–ligand complex	van der Waal energy (kJ/mol)	Electrostatic energy (kJ/mol)	Polar salvation energy (kJ/mol)	SASA energy (kJ/mol)	Binding energy (kJ/mol)
(X77-3CLPro) (Ref)	− 117.678 ± 9.525	− 5.561 ± 5.653	77.043 ± 10.038	− 15.503 ± 1.212	− 61.700 ± 9.259
3CLPro–5035	− 148.132 ± 8.521	− 23.116 ± 6.813	121.974 ± 12.753	− 16.851 ± 0.971	− 66.125 ± 12.508
3CLPro-41145803	− 141.267 ± 13.239	− 51.242 ± 14.145	150.436 ± 25.762	− 17.516 ± 1.675	− 59.589 ± 22.257
3CLPro-4440516	− 196.185 ± 11.662	− 35.405 ± 11.074	185.640 ± 16.797	− 20.777 ± 1.076	− 66.728 ± 12.859
3CLPro-101389938	− 157.886 ± 12.981	− 28.341 ± 8.87	116.909 ± 14.634	− 18.643 ± 1.236	− 87.962 ± 12.933