| Compound ID | EDJ-MED-e4b030d8-5 |
| ΔG / kcal M-1 | −8.5 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||
|---|---|---|---|---|---|---|---|---|---|
| RUN164 | MAT-POS-8a69d52e-7_1 |
|
EDJ-MED-e4b030d8-5_1 |
|
0.4 ± 0.5 |
|
|
||