| Compound ID | MIK-ENA-0547b12c-1 |
| ΔG / kcal M-1 | −6.2 ± 0.9 |
| pIC50 | 4.5 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN887 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-0547b12c-1_1 |
|
0.3 ± 0.9 |
|
|
|
|||
| RUN888 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-0547b12c-1_1 |
|
0.9 ± 0.9 |
|
|
|
|||
| RUN886 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-0547b12c-1_2 |
|
3.1 ± 1.0 |
|
|
|
|||
| RUN890 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-0547b12c-1_2 |
|
3.2 ± 0.6 |
|
|
|
|||
