| Compound ID | EDJ-MED-50fe53e8-2 |
| ΔG / kcal M-1 | −8.81 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN185 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-50fe53e8-2_1 |
|
1.30 ± 0.09 |
|
|
||||