| Compound ID | EDJ-MED-00c1612e-1 |
| ΔG / kcal M-1 | −8.19 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 6.04682020290596 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN16 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-00c1612e-1_1 |
|
0.5 ± 0.2 |
|
|
||||