| Compound ID | EDG-MED-b6bce001-2 |
| ΔG / kcal M-1 | 0.2 ± 0.6 |
| pIC50 | −0.1 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN802 | VLA-UCB-50c39ae8-2_1 |
|
EDG-MED-b6bce001-2_1 |
|
8.9 ± 0.7 |
|
|
|
|||
| RUN804 | VLA-UCB-50c39ae8-2_1 |
|
EDG-MED-b6bce001-2_2 |
|
10.6 ± 0.5 |
|
|
|
|||
