| Compound ID | VLA-UCB-00f2c2b3-7 |
| ΔG / kcal M-1 | −8.1 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN952 | ADA-UCB-6c2cb422-1_1 |
|
VLA-UCB-00f2c2b3-7_1 |
|
2.2 ± 0.2 |
|
|
||||