| Compound ID | ADA-UCB-dc2b944c-14 |
| ΔG / kcal M-1 | −4.7 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN129 | MAT-POS-8a69d52e-7_1 |
|
ADA-UCB-dc2b944c-14_1 |
|
2.5 ± 0.2 |
|
|
||||
| RUN127 | MAT-POS-8a69d52e-7_1 |
|
ADA-UCB-dc2b944c-14_1 |
|
3.3 ± 0.2 |
|
|
||||