| Compound ID | ADA-UCB-dc2b944c-11 |
| ΔG / kcal M-1 | −9.9 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN610 | PET-UNK-29afea89-2_1 |
|
ADA-UCB-dc2b944c-11_1 |
|
−3.2 ± 0.3 |
|
|
||||