| Compound ID | ED_-GRI-5b13fbe2-63 |
| ΔG / kcal M-1 | −9.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1617 | PET-UNK-29afea89-2_1 |
|
ED_-GRI-5b13fbe2-63_1 |
|
−3.0 ± 0.2 |
|
|
||||