| Compound ID | EDJ-MED-7e491f08-1 |
| ΔG / kcal M-1 | −9.8 ± 0.7 |
| pIC50 | 7.2 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1350 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-7e491f08-1_2 |
|
−1.1 ± 0.7 |
|
|
|
|||
| RUN1347 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-7e491f08-1_1 |
|
0.7 ± 0.5 |
|
|
|
|||
