| Compound ID | LUO-POS-868e8996-10 |
| ΔG / kcal M-1 | −6.2 ± 0.1 |
| pIC50 | 4.52 ± 0.10 |
| ΔG / kcal M-1 | −6.2 ± 0.1 |
| pIC50 | 4.5 ± 0.1 |
| IC50 / µM | 31.623 ± 31.623 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN563 | MAT-POS-c7726e07-5_1 |
|
LUO-POS-868e8996-10_1 |
|
0.3 ± 0.9 |
|
|
|
|||
