| Compound ID | DAR-DIA-0cde14eb-57 |
| ΔG / kcal M-1 | −6.3 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN25 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-57_1 |
|
1.7 ± 0.3 |
|
|
||||
| RUN24 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-57_2 |
|
1.9 ± 0.3 |
|
|
||||