| Compound ID | MIK-ENA-bb7b6957-1 |
| ΔG / kcal M-1 | −9.0 ± 0.9 |
| pIC50 | 6.6 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1877 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-bb7b6957-1_1 |
|
0.1 ± 0.8 |
|
|
|
|||
| RUN1881 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-bb7b6957-1_1 |
|
0.6 ± 0.9 |
|
|
|
|||
