| Compound ID | DAR-DIA-0cde14eb-58 |
| ΔG / kcal M-1 | −8.0 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN27 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-58_2 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN22 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-58_1 |
|
1.8 ± 0.4 |
|
|
||||