| Compound ID | ALP-POS-477dc5b7-3 |
| ΔG / kcal M-1 | −6.87 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 4.39028683269627 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN96 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-477dc5b7-3_1 |
|
−0.8 ± 0.2 |
|
|
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