| Compound ID | RUB-POS-1325a9ea-14 |
| ΔG / kcal M-1 | −8.43 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | 5.825061211759255 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN647 | ADA-UCB-6c2cb422-1_1 |
|
RUB-POS-1325a9ea-14_1 |
|
−1.25 ± 0.10 |
|
|
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