| Compound ID | MAT-POS-bb423b95-1 |
| ΔG / kcal M-1 | −8.75 ± 0.05 |
| IC50 / µM | TBD |
| pIC50 | 5.100088807034921 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN255 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-bb423b95-1_1 |
|
0.03 ± 0.05 |
|
|
||||