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Binding energies ΔHGBSA between the p161 peptides and A24 during the 300–500 ns phase of the MD simulations with the standard deviations in parentheses.
| Energy | A24-p161 | A24-Galp161 | A24-Glcp161 |
|---|---|---|---|
| ELE | −448.3 (11.0) | −400.3 (18.6) | −397.0 (6.8) |
| VDW | −97.5 (3.0) | −102.3 (0.8) | −99.5 (1.1) |
| GBSOL | 459.8 (11.5) | 427.6 (17.6) | 421.8 (4.4) |
| ΔH | −86.0 (4.0) | −75.0 (0.7) | −74.6 (1.7) |
