| Compound ID | MAT-POS-853c0ffa-20 |
| ΔG / kcal M-1 | −5.8 ± 0.8 |
| pIC50 | 4.3 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1930 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-853c0ffa-20_1 |
|
2.0 ± 1.0 |
|
|
|
|||
| RUN1929 | MAT-POS-c7726e07-5_1 |
|
MAT-POS-853c0ffa-20_1 |
|
3.7 ± 0.8 |
|
|
|
|||
