| Compound ID | EDJ-MED-28ec730d-1 |
| ΔG / kcal M-1 | −7.5 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN62 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-28ec730d-1_1 |
|
2.2 ± 0.2 |
|
|
||||