| Compound ID | JAN-GHE-f4ca5a00-16 |
| ΔG / kcal M-1 | −8.2 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN158 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-f4ca5a00-16_1 |
|
−0.1 ± 0.1 |
|
|
||||