| Compound ID | JAN-GHE-f4ca5a00-18 |
| ΔG / kcal M-1 | −8.8 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN201 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-f4ca5a00-18_2 |
|
−1.8 ± 0.2 |
|
|
||||
| RUN204 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-f4ca5a00-18_1 |
|
−0.3 ± 0.2 |
|
|
||||