| Compound ID | MAT-POS-1d5ab790-1 |
| ΔG / kcal M-1 | −7.0 ± 0.1 |
| pIC50 | 5.09 ± 0.10 |
| ΔG / kcal M-1 | −7.0 ± 0.1 |
| pIC50 | 5.1 ± 0.1 |
| IC50 / µM | 7.943 ± 7.943 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1668 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-1d5ab790-1_1 |
|
3.6 ± 1.0 |
|
|
|
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