| Compound ID | MAT-POS-38eb6498-2 |
| ΔG / kcal M-1 | −11.0 ± 0.9 |
| pIC50 | 8.0 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN906 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-38eb6498-2_1 |
|
−3.4 ± 0.9 |
|
|
|
|||
