| Compound ID | MAT-POS-853c0ffa-5 |
| ΔG / kcal M-1 | −7.0 ± 0.1 |
| pIC50 | 5.08 ± 0.10 |
| ΔG / kcal M-1 | −7.0 ± 0.1 |
| pIC50 | 5.1 ± 0.1 |
| IC50 / µM | 7.943 ± 7.943 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1651 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-853c0ffa-5_1 |
|
3.7 ± 0.9 |
|
|
|
|||
