| Compound ID | MAT-POS-853c0ffa-6 |
| ΔG / kcal M-1 | −6.3 ± 0.1 |
| pIC50 | 4.62 ± 0.10 |
| ΔG / kcal M-1 | −6.3 ± 0.1 |
| pIC50 | 4.6 ± 0.1 |
| IC50 / µM | 25.119 ± 25.119 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN719 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-853c0ffa-6_1 |
|
−0.0 ± 0.9 |
|
|
|
|||
