| Compound ID | MIK-ENA-2c0ad173-1 |
| ΔG / kcal M-1 | −5.1 ± 1.0 |
| pIC50 | 3.7 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1910 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-2c0ad173-1_2 |
|
1.7 ± 0.9 |
|
|
|
|||
| RUN1912 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-2c0ad173-1_2 |
|
4.1 ± 1.0 |
|
|
|
|||
| RUN1908 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-2c0ad173-1_1 |
|
11.5 ± 0.8 |
|
|
|
|||
| RUN1907 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-2c0ad173-1_1 |
|
20.2 ± 0.6 |
|
|
|
|||
