| Compound ID | MAT-POS-4211dce8-1 |
| ΔG / kcal M-1 | −7.4 ± 0.5 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN265 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-4211dce8-1_1 |
|
2.0 ± 0.5 |
|
|
||||