| Compound ID | EDJ-MED-c8e7a002-17 |
| ΔG / kcal M-1 | −10.05 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN311 | ADA-UCB-6c2cb422-1_1 |
|
EDJ-MED-c8e7a002-17_1 |
|
−2.64 ± 0.10 |
|
|
||||