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Binding free energy (kJ/mol) calculated for Spike-ACE2 complexes.
| Spike | Apolar solvation energy | Polar solvation energy | Elec energy | VdW energy | Total energy |
|---|---|---|---|---|---|
| Native | −41.312 | 641.17 | −1321.58 | −313.115 | −1034.83 |
| Mutant | −34.058 | 611.6 | −2045.46 | −259.33 | −1727.25 |
