| Compound ID | EDJ-MED-33064c06-6 |
| ΔG / kcal M-1 | −2.5 ± 0.7 |
| pIC50 | 1.8 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1914 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-33064c06-6_1 |
|
5.8 ± 0.6 |
|
|
|
|||
| RUN1918 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-33064c06-6_1 |
|
6.7 ± 0.9 |
|
|
|
|||
| RUN1917 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-33064c06-6_1 |
|
7.1 ± 0.6 |
|
|
|
|||
