| Compound ID | EDG-MED-b6bce001-1 |
| ΔG / kcal M-1 | −4.8 ± 0.4 |
| pIC50 | 3.5 ± 0.3 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1229 | VLA-UCB-50c39ae8-2_1 |
|
EDG-MED-b6bce001-1_1 |
|
4.0 ± 0.4 |
|
|
|
|||
| RUN1226 | VLA-UCB-50c39ae8-2_1 |
|
EDG-MED-b6bce001-1_2 |
|
5.2 ± 0.7 |
|
|
|
|||
