| Compound ID | MIK-ENA-0547b12c-1 |
| ΔG / kcal M-1 | −6.5 ± 0.9 |
| pIC50 | 4.8 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1972 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-0547b12c-1_1 |
|
2.2 ± 0.9 |
|
|
|
|||
| RUN1977 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-0547b12c-1_2 |
|
2.3 ± 0.9 |
|
|
|
|||
| RUN1976 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-0547b12c-1_2 |
|
2.6 ± 0.9 |
|
|
|
|||
| RUN1975 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-0547b12c-1_1 |
|
5.5 ± 0.7 |
|
|
|
|||
