| Compound ID | VLA-UCB-34f3ed0c-11 |
| ΔG / kcal M-1 | −10.45 ± 0.07 |
| pIC50 | 7.61 ± 0.05 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN689 | VLA-UCB-50c39ae8-2_1 |
|
VLA-UCB-34f3ed0c-11_1 |
|
−1.37 ± 0.06 |
|
|
|
|||
