| Compound ID | ALP-POS-afe0272e-2 |
| ΔG / kcal M-1 | 1.7 ± 0.7 |
| pIC50 | −1.2 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1296 | MAT-POS-c7726e07-5_1 |
|
ALP-POS-afe0272e-2_1 |
|
9.8 ± 0.8 |
|
|
|
|||
| RUN1293 | MAT-POS-c7726e07-5_1 |
|
ALP-POS-afe0272e-2_1 |
|
11.3 ± 0.7 |
|
|
|
|||
