| Compound ID | EDG-MED-b6bce001-2 |
| ΔG / kcal M-1 | −1.2 ± 0.5 |
| pIC50 | 0.9 ± 0.4 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN317 | VLA-UCB-50c39ae8-2_1 |
|
EDG-MED-b6bce001-2_2 |
|
7.4 ± 0.5 |
|
|
|
|||
| RUN315 | VLA-UCB-50c39ae8-2_1 |
|
EDG-MED-b6bce001-2_1 |
|
9.7 ± 0.5 |
|
|
|
|||
