| Compound ID | JAN-GHE-83b26c96-3 |
| ΔG / kcal M-1 | −5.3 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN762 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-3_2 |
|
2.3 ± 0.4 |
|
|
||||
| RUN766 | ADA-UCB-6c2cb422-1_1 |
|
JAN-GHE-83b26c96-3_1 |
|
10.4 ± 0.4 |
|
|
||||