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Energetic calculations obtained with HADDOCK v. 2.4.
| Variant | Binding affinity (ΔG, Kcal/mol) |
Dissociation constant, (KD, M) |
||||
|---|---|---|---|---|---|---|
| No apt | Apt 6 | Apt 14 | No apt | Apt 6 | Apt 14 | |
| wt | -10.7 | -7.0 | -8.7 | 3.8E-8 | 1.2E-5 | 7.9E-6 |
| UK | -11.5 | -8.7 | -7.7 | 7.5E-9 | 7.3E-7 | 3.8E-6 |
| SA | -13.7 | -9.3 | -8.2 | 2.1E-10 | 2.6E-7 | 1.8E-6 |
| BR | -13.2 | -6.2 | -8.5 | 4.9E-10 | 6.9E-6 | 1.1E-6 |
wt: Wuhan variant, UK: United Kingdom variant (B.1.1.7), SA: South African variant (B.1.53), BR: Brazilian variant (P.1).
