| Compound ID | MAT-POS-0bc33984-2 |
| ΔG / kcal M-1 | −7.1 ± 0.4 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN213 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-0bc33984-2_1 |
|
2.8 ± 0.4 |
|
|
||||
| RUN217 | ADA-UCB-6c2cb422-1_1 |
|
MAT-POS-0bc33984-2_2 |
|
2.9 ± 0.7 |
|
|
||||