| Compound ID | EDJ-MED-a364e151-3 |
| ΔG / kcal M-1 | −7.7 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN197 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-a364e151-3_1 |
|
2.3 ± 0.2 |
|
|
||||