| Compound ID | EDJ-MED-468565e0-5 |
| ΔG / kcal M-1 | −6.1 ± 0.7 |
| pIC50 | 4.5 ± 0.5 |
| ΔG / kcal M-1 | TBD |
| pIC50 | TBD |
| IC50 / µM | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1936 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-468565e0-5_1 |
|
2.6 ± 0.8 |
|
|
|
|||
| RUN1928 | VLA-UCB-50c39ae8-2_1 |
|
EDJ-MED-468565e0-5_2 |
|
3.8 ± 0.5 |
|
|
|
|||
