| Compound ID | MAT-POS-3b92565d-1 |
| ΔG / kcal M-1 | −8.03 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 5.91996696607632 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN40 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-3b92565d-1_1 |
|
0.5 ± 0.2 |
|
|
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