| Compound ID | ADA-UCB-dc2b944c-12 |
| ΔG / kcal M-1 | −8.94 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN64 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-dc2b944c-12_1 |
|
0.81 ± 0.05 |
|
|
||||