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The Rg values for investigated ligand-hACE2 complexes across the all-atom MD simulation.
| Alacepril-hACE2 complex | Lisinopril-hACE2 complex | Glycosylated (NAG) hACE2 | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Reference atom group | Maximum (Å) | Average (Å) | Minimum (Å) | Maximum (Å) | Average (Å) | Minimum (Å) | Maximum (Å) | Average (Å) | Minimum (Å) |
| Complex | 25.78 | 25.08 ± 0.09 | 24.49 | 25.90 | 25.20 ± 0.21 | 24.63 | 25.59 | 25.12 ± 0.19 | 24.29 |
| Protein | 25.75 | 25.03 ± 0.17 | 24.45 | 25.88 | 25.15 ± 0.21 | 24.56 | 25.57 | 25.08 ± 0.19 | 24.26 |
