| Compound ID | DAR-DIA-0d514e7d-20 |
| ΔG / kcal M-1 | −12.9 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN181 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-0d514e7d-20_1 |
|
2.1 ± 0.3 |
|
|
||||