| Compound ID | JAN-GHE-83b26c96-9 |
| ΔG / kcal M-1 | −9.0 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN25 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-9_1 |
|
−0.2 ± 0.3 |
|
|
||||
| RUN28 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-9_2 |
|
10.6 ± 0.4 |
|
|
||||