| Compound ID | DAR-DIA-0d514e7d-28 |
| ΔG / kcal M-1 | −11.13 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN6 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-28_1 |
|
−1.37 ± 0.09 |
|
|
||||