| Compound ID | MIK-ENA-7066949b-1 |
| ΔG / kcal M-1 | −2.3 ± 0.8 |
| pIC50 | 1.7 ± 0.6 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2068 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-7066949b-1_1 |
|
3.5 ± 0.9 |
|
|
|
|||
| RUN2065 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-7066949b-1_1 |
|
4.7 ± 0.7 |
|
|
|
|||
| RUN2070 | MAT-POS-c7726e07-5_1 |
|
MIK-ENA-7066949b-1_1 |
|
7.1 ± 0.9 |
|
|
|
|||
