| Compound ID | MIK-ENA-794411b8-1 |
| ΔG / kcal M-1 | −5.0 ± 0.5 |
| pIC50 | 3.7 ± 0.4 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1227 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-794411b8-1_1 |
|
0.8 ± 0.5 |
|
|
|
|||
| RUN1223 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-794411b8-1_1 |
|
5.0 ± 0.5 |
|
|
|
|||
