| Compound ID | EDJ-MED-a12e3a20-2 |
| ΔG / kcal M-1 | −11.0 ± 0.1 |
| pIC50 | 8.02 ± 0.10 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1140 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-a12e3a20-2_1 |
|
−1.9 ± 0.1 |
|
|
|
|||
