| Compound ID | VLA-UNK-83c3754c-1 |
| ΔG / kcal M-1 | −15.9 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2122 | MAT-POS-b3e365b9-1_1 |
|
VLA-UNK-83c3754c-1_1 |
|
−7.0 ± 0.2 |
|
|
||||