| Compound ID | DAR-DIA-0f7b7cd9-9 |
| ΔG / kcal M-1 | −5.9 ± 0.2 |
| pIC50 | 4.3 ± 0.1 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN30 | VLA-UCB-50c39ae8-2_1 |
|
DAR-DIA-0f7b7cd9-9_1 |
|
3.2 ± 0.1 |
|
|
|
|||
