| Compound ID | JAN-GHE-83b26c96-1 |
| ΔG / kcal M-1 | −4.6 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN813 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-1_2 |
|
3.7 ± 0.3 |
|
|
||||
| RUN815 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-1_1 |
|
4.8 ± 0.5 |
|
|
||||