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Calculated average molecular mechanics/generalized born surface area (MM/GBSA) changes in free energy compared to the starting structure (see Section 4)
| Loop model | CoV1‐RBD | CoV2‐RBD | |
|---|---|---|---|
| ΔG (kcal/mol) | ΔG (kcal/mol) | ||
| 1 (black) | 13.2 | 6.7 | |
| 2 (green) | 12.1 | 15.4 | |
| 3 (purple) | 31.7 | 14.2 | |
| 4 (red) | −0.04 | 6.5 | |
| 5 (blue) | 10.4 | −3.5 |
