| Compound ID | ALP-UNI-3735e77e-1 |
| ΔG / kcal M-1 | −12.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1763 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3735e77e-1_1 |
|
−4.2 ± 0.2 |
|
|
||||
| RUN1750 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3735e77e-1_2 |
|
−3.2 ± 0.3 |
|
|
||||