| Compound ID | MAT-POS-11b63608-1 |
| ΔG / kcal M-1 | −8.36 ± 0.06 |
| IC50 / µM | TBD |
| pIC50 | 6.07012000323875 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN39 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-11b63608-1_1 |
|
0.06 ± 0.05 |
|
|
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