| Compound ID | MIK-ENA-17e27e9c-1 |
| ΔG / kcal M-1 | −5.8 ± 0.7 |
| pIC50 | 4.2 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1901 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-17e27e9c-1_1 |
|
2.6 ± 0.7 |
|
|
|
|||
| RUN1899 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-17e27e9c-1_1 |
|
3.3 ± 0.7 |
|
|
|
|||
| RUN1904 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-17e27e9c-1_2 |
|
11.0 ± 0.8 |
|
|
|
|||
| RUN1902 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-17e27e9c-1_2 |
|
11.7 ± 1.0 |
|
|
|
|||
