| Compound ID | DAR-DIA-0d514e7d-3 |
| ΔG / kcal M-1 | −8.4 ± 0.1 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN74 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-0d514e7d-3_1 |
|
−0.75 ± 0.10 |
|
|
||||
| RUN73 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-0d514e7d-3_1 |
|
−0.4 ± 0.1 |
|
|
||||