| Compound ID | MAT-POS-2492181e-1 |
| ΔG / kcal M-1 | −4.7 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN34 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-2492181e-1_1 |
|
3.3 ± 0.5 |
|
|
||||