| Compound ID | EDJ-MED-468565e0-5 |
| ΔG / kcal M-1 | −8.1 ± 0.6 |
| pIC50 | 5.9 ± 0.4 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1441 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-468565e0-5_2 |
|
0.6 ± 0.7 |
|
|
|
|||
| RUN1449 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-468565e0-5_1 |
|
1.7 ± 0.6 |
|
|
|
|||
