| Compound ID | MIK-ENA-99706bb8-1 |
| ΔG / kcal M-1 | −6.1 ± 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 | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1900 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-99706bb8-1_2 |
|
1.6 ± 0.9 |
|
|
|
|||
| RUN1898 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-99706bb8-1_2 |
|
3.1 ± 1.0 |
|
|
|
|||
| RUN1897 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-99706bb8-1_1 |
|
3.8 ± 0.9 |
|
|
|
|||
| RUN1893 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-99706bb8-1_1 |
|
4.5 ± 0.7 |
|
|
|
|||
