| Compound ID | EDJ-MED-cc48ee33-3 |
| ΔG / kcal M-1 | −10.4 ± 0.1 |
| pIC50 | 7.57 ± 0.08 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN496 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-cc48ee33-3_1 |
|
−1.31 ± 0.10 |
|
|
|
|||
