| Compound ID | EDJ-MED-40e596c8-4 |
| ΔG / kcal M-1 | −7.8 ± 0.4 |
| pIC50 | 5.7 ± 0.3 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN519 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-40e596c8-4_1 |
|
−0.2 ± 0.3 |
|
|
|
|||
| RUN517 | MAT-POS-c7726e07-5_1 |
|
EDJ-MED-40e596c8-4_1 |
|
−0.1 ± 0.4 |
|
|
|
|||
