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Different terms of structural free energy (kJ/mol) were calculated for target structures.
| Spike | Apolar solvation energy | polar solvation energy | Elec energy | VdW energy | Total energy |
|---|---|---|---|---|---|
| Native | 249.1 | −6174.5 | −7725.3 | −2431.7 | −16,082.5 |
| Mutant | 252.7 | −6668.8 | −7744.3 | −2453.1 | −16,613.6 |
Elec: Electrostatics; VdW: Van der Waals.
