| Compound ID | EDJ-MED-ee81482e-5 |
| ΔG / kcal M-1 | −4.5 ± 0.9 |
| pIC50 | 3.3 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2105 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-ee81482e-5_1 |
|
−0.5 ± 0.9 |
|
|
|
|||
| RUN2107 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-ee81482e-5_1 |
|
2.5 ± 1.0 |
|
|
|
|||
| RUN2108 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-ee81482e-5_1 |
|
5.0 ± 1.0 |
|
|
|
|||
