| Compound ID | TRY-UNI-714a760b-3 |
| ΔG / kcal M-1 | −7.15 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 5.374446822753494 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN4 | ADA-UCB-6c2cb422-1_1 |
|
TRY-UNI-714a760b-3_1 |
|
2.6 ± 0.3 |
|
|
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