| Compound ID | VLA-UCB-34f3ed0c-14 |
| ΔG / kcal M-1 | −12.0 ± 0.2 |
| pIC50 | 8.7 ± 0.2 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN460 | VLA-UCB-50c39ae8-2_1 |
|
VLA-UCB-34f3ed0c-14_1 |
|
−2.9 ± 0.2 |
|
|
|
|||
