| Compound ID | EDG-MED-00af8776-1 |
| ΔG / kcal M-1 | −2.4 ± 0.2 |
| pIC50 | 1.7 ± 0.2 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN247 | VLA-UCB-50c39ae8-2_1 |
|
EDG-MED-00af8776-1_1 |
|
6.6 ± 0.3 |
|
|
|
|||
| RUN250 | VLA-UCB-50c39ae8-2_1 |
|
EDG-MED-00af8776-1_2 |
|
6.9 ± 0.3 |
|
|
|
|||
