| Compound ID | MAT-POS-199e2e7c-2 |
| ΔG / kcal M-1 | −8.87 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1050 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-199e2e7c-2_1 |
|
−1.41 ± 0.10 |
|
|
||||