| Compound ID | MIK-ENA-5d9157e9-1 |
| ΔG / kcal M-1 | −7.8 ± 0.7 |
| pIC50 | 5.7 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN429 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-5d9157e9-1_1 |
|
−4.4 ± 0.9 |
|
|
|
|||
| RUN425 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-5d9157e9-1_1 |
|
−0.2 ± 0.7 |
|
|
|
|||
