| Compound ID | MAT-POS-1e5f28a7-1 |
| ΔG / kcal M-1 | −6.55 ± 0.10 |
| IC50 / µM | TBD |
| pIC50 | 4.625026410135872 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN272 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-1e5f28a7-1_1 |
|
−0.5 ± 0.4 |
|
|
||||