| Compound ID | MAT-POS-bfb445d4-2 |
| ΔG / kcal M-1 | −9.14 ± 0.07 |
| IC50 / µM | TBD |
| pIC50 | 5.236390510989273 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1016 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-bfb445d4-2_1 |
|
−3.27 ± 0.10 |
|
|
||||