| Compound ID | EDJ-MED-7587a9ee-1 |
| ΔG / kcal M-1 | −7.1 ± 0.1 |
| pIC50 | 5.20 ± 0.09 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1060 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-7587a9ee-1_2 |
|
1.6 ± 0.1 |
|
|
|
|||
| RUN1059 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-7587a9ee-1_1 |
|
3.0 ± 0.2 |
|
|
|
|||
