| Compound ID | EDJ-MED-4138fde9-6 |
| ΔG / kcal M-1 | −7.2 ± 0.6 |
| pIC50 | 5.3 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1049 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-4138fde9-6_1 |
|
−3.0 ± 0.5 |
|
|
|
|||
| RUN1046 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-4138fde9-6_1 |
|
0.4 ± 0.6 |
|
|
|
|||
