| Compound ID | JAN-GHE-83b26c96-23 |
| ΔG / kcal M-1 | −5.4 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN61 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-23_1 |
|
2.5 ± 0.3 |
|
|
||||