| Compound ID | ALP-POS-afe0272e-2 |
| ΔG / kcal M-1 | −9.4 ± 0.4 |
| pIC50 | 6.9 ± 0.3 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN208 | MAT-POS-c7726e07-5_1 |
|
ALP-POS-afe0272e-2_1 |
|
−2.2 ± 0.6 |
|
|
|
|||
| RUN207 | MAT-POS-c7726e07-5_1 |
|
ALP-POS-afe0272e-2_1 |
|
−1.7 ± 0.4 |
|
|
|
|||
