| Compound ID | EDJ-MED-468565e0-5 |
| ΔG / kcal M-1 | 3.4 ± 1.0 |
| pIC50 | −2.5 ± 0.7 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2150 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-468565e0-5_1 |
|
13 ± 1 |
|
|
|
|||
| RUN2144 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-468565e0-5_1 |
|
12.7 ± 0.9 |
|
|
|
|||
| RUN2146 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-468565e0-5_1 |
|
12.8 ± 1.0 |
|
|
|
|||
