| Compound ID | EDG-MED-0da5ad92-17 |
| ΔG / kcal M-1 | −4.5 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN78 | ADA-UCB-6c2cb422-1_1 |
|
EDG-MED-0da5ad92-17_1 |
|
3.4 ± 0.3 |
|
|
||||