| Compound ID | LAU-MED-88a3970a-11 |
| ΔG / kcal M-1 | −13.6 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1507 | PET-UNK-29afea89-2_1 |
|
LAU-MED-88a3970a-11_1 |
|
−6.9 ± 0.2 |
|
|
||||