| Compound ID | MAT-POS-199e2e7c-1 |
| ΔG / kcal M-1 | −7.19 ± 0.09 |
| IC50 / µM | TBD |
| pIC50 | 5.287063051864075 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1111 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-199e2e7c-1_1 |
|
1.9 ± 0.2 |
|
|
||||