| Compound ID | MAT-POS-f7918075-3 |
| ΔG / kcal M-1 | −8.29 ± 0.04 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1063 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-f7918075-3_1 |
|
−0.73 ± 0.04 |
|
|
||||