| Compound ID | ADA-UCB-dc2b944c-1 |
| ΔG / kcal M-1 | −15.5 ± 0.3 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN491 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-dc2b944c-1_1 |
|
−6.9 ± 0.4 |
|
|
||||
| RUN464 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-dc2b944c-1_2 |
|
−6.4 ± 0.3 |
|
|
||||