| Compound ID | ALP-POS-696356e4-1 |
| ΔG / kcal M-1 | −9.91 ± 0.05 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN20 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-696356e4-1_1 |
|
−0.16 ± 0.03 |
|
|
||||