Table 5.

Breakdown of the energy contributions to the estimated free energy of binding

SARS-CoV-2 proteins	van der Waal energy (kJ mol−1)	Electrostatic energy (kJ mol−1)	Polar solvation energy (kJ mol−1)	SASA energy (kJ mol−1)	Binding energy (kJ mol−1)
6M3M	− 74.123 ± 0.331	− 16.142 ± 0.350	37.413 ± 0.378	− 8.124 ± 0.035	− 61.00 ± 0.386
6LZG	− 67.132 ± 0.650	− 11.076 ± 0.288	36.274 ± 0.673	− 6.853 ± 0.058	− 48.789 ± 0.678
6LU7	− 85.91 ± 0.432	− 10.093 ± 0.093	49.916 ± 0.348	− 8.608 ± 0.032	− 54.786 ± 0.409