| Compound ID | MIK-ENA-60569a44-1 |
| ΔG / kcal M-1 | −8.5 ± 0.8 |
| pIC50 | 6.2 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1878 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-60569a44-1_1 |
|
−0.0 ± 0.8 |
|
|
|
|||
| RUN1879 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-60569a44-1_1 |
|
1.0 ± 0.8 |
|
|
|
|||
