| Compound ID | ALP-POS-4483ae88-1 |
| ΔG / kcal M-1 | −6.5 ± 0.4 |
| pIC50 | 4.7 ± 0.3 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1108 | MAT-POS-c7726e07-5_1 |
|
ALP-POS-4483ae88-1_1 |
|
2.8 ± 0.4 |
|
|
|
|||
| RUN1104 | MAT-POS-c7726e07-5_1 |
|
ALP-POS-4483ae88-1_1 |
|
3.4 ± 0.4 |
|
|
|
|||
