| Compound ID | ADA-UCB-dc2b944c-16 |
| ΔG / kcal M-1 | −8.9 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN41 | MAT-POS-8a69d52e-7_1 |
|
ADA-UCB-dc2b944c-16_1 |
|
−1.0 ± 0.1 |
|
|
||||