| Compound ID | ALP-POS-d3acb8cc-1 |
| ΔG / kcal M-1 | −10.69 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN23 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-d3acb8cc-1_1 |
|
−0.94 ± 0.08 |
|
|
||||