| Compound ID | VLA-UCB-50c39ae8-7 |
| ΔG / kcal M-1 | −7.4 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN150 | MAT-POS-8a69d52e-7_1 |
|
VLA-UCB-50c39ae8-7_1 |
|
0.5 ± 0.3 |
|
|
||||