| Compound ID | DAR-DIA-0d514e7d-19 |
| ΔG / kcal M-1 | −12.9 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN162 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-0d514e7d-19_1 |
|
1.9 ± 0.5 |
|
|
||||