| Compound ID | JAN-GHE-83b26c96-1 |
| ΔG / kcal M-1 | −3.6 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN14 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-1_2 |
|
3.9 ± 0.4 |
|
|
||||
| RUN16 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-1_1 |
|
6.3 ± 0.4 |
|
|
||||