| Compound ID | MAT-POS-bb423b95-9 |
| ΔG / kcal M-1 | −8.41 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN265 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-bb423b95-9_1 |
|
0.69 ± 0.06 |
|
|
||||