| Compound ID | DAR-DIA-0f2f46c9-3 |
| ΔG / kcal M-1 | −10.5 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3227 | PET-UNK-29afea89-2_1 |
|
DAR-DIA-0f2f46c9-3_2 |
|
−4.2 ± 0.2 |
|
|
||||
| RUN3224 | PET-UNK-29afea89-2_1 |
|
DAR-DIA-0f2f46c9-3_1 |
|
0.1 ± 0.2 |
|
|
||||