| Compound ID | DAR-DIA-0cde14eb-60 |
| ΔG / kcal M-1 | −7.8 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN23 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-60_2 |
|
−0.1 ± 0.3 |
|
|
||||
| RUN20 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-60_1 |
|
1.5 ± 0.4 |
|
|
||||