| Compound ID | MIK-ENA-17e27e9c-1 |
| ΔG / kcal M-1 | −3.8 ± 0.8 |
| pIC50 | 2.7 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN813 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-17e27e9c-1_1 |
|
2.2 ± 0.7 |
|
|
|
|||
| RUN814 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-17e27e9c-1_2 |
|
2.5 ± 0.7 |
|
|
|
|||
| RUN815 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-17e27e9c-1_1 |
|
3.5 ± 0.9 |
|
|
|
|||
| RUN816 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-17e27e9c-1_2 |
|
4.8 ± 0.9 |
|
|
|
|||
