| Compound ID | JIN-POS-6dc588a4-22 |
| ΔG / kcal M-1 | −8.65 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | 6.372053754977971 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN637 | ADA-UCB-6c2cb422-1_1 |
|
JIN-POS-6dc588a4-22_1 |
|
0.9 ± 0.3 |
|
|
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