| Compound ID | ALP-POS-95b75b4d-5 |
| ΔG / kcal M-1 | −6.80 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 5.144260669135889 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN40 | ADA-UCB-6c2cb422-1_1 |
|
ALP-POS-95b75b4d-5_1 |
|
2.2 ± 0.2 |
|
|
||||