| Compound ID | JAN-GHE-f4ca5a00-12 |
| ΔG / kcal M-1 | −8.0 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN891 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-f4ca5a00-12_1 |
|
2.1 ± 0.4 |
|
|
||||