| Compound ID | MAT-POS-1bed62cf-2 |
| ΔG / kcal M-1 | −9.0 ± 0.1 |
| pIC50 | 6.58 ± 0.10 |
| ΔG / kcal M-1 | −9.1 ± 0.1 |
| pIC50 | 6.6 ± 0.1 |
| IC50 / µM | 0.251 ± 0.251 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1249 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-1bed62cf-2_1 |
|
1.3 ± 0.4 |
|
|
|
|||
