| Compound ID | EDJ-MED-98c0a822-1 |
| ΔG / kcal M-1 | −2.6 ± 0.3 |
| pIC50 | 1.9 ± 0.2 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN817 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-98c0a822-1_2 |
|
6.3 ± 0.4 |
|
|
|
|||
| RUN815 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-98c0a822-1_1 |
|
6.8 ± 0.6 |
|
|
|
|||
