| Compound ID | DAR-DIA-0d514e7d-11 |
| ΔG / kcal M-1 | −7.65 ± 0.08 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN87 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-0d514e7d-11_1 |
|
0.27 ± 0.06 |
|
|
||||