| Compound ID | RUB-POS-1325a9ea-12 |
| ΔG / kcal M-1 | −7.71 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 5.677042941999828 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN661 | ADA-UCB-6c2cb422-1_1 |
|
RUB-POS-1325a9ea-12_1 |
|
0.7 ± 0.2 |
|
|
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