| Compound ID | EDJ-MED-e4b030d8-4 |
| ΔG / kcal M-1 | −10.3 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN150 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-4_1 |
|
−2.0 ± 0.3 |
|
|
||||