| Compound ID | MAT-POS-e1b5ac6b-1 |
| ΔG / kcal M-1 | −7.5 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN189 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-e1b5ac6b-1_1 |
|
1.8 ± 0.3 |
|
|
||||