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Binding free energy decomposition for spike–ACE2 complexes
| Complex | VdW energy | ES energy | PS energy | SASA energy | Binding energy |
|---|---|---|---|---|---|
| Native | −283.415 | −2353.393 | 533.526 | −37.414 | −2140.696 |
| Mutant | −313.698 | −2487.918 | 593.290 | −39.733 | −2248.058 |
Abbreviations: ACE2, angiotensin‐converting enzyme 2; ES, electrostatic energy; PS, polar solvation energy; SASA, solvent accessible surface area; VdW, Vander walls energy.
