| Compound ID | RUB-POS-1325a9ea-3 |
| ΔG / kcal M-1 | −7.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN649 | ADA-UCB-6c2cb422-1_1 |
|
RUB-POS-1325a9ea-3_1 |
|
0.3 ± 0.2 |
|
|
||||