Compound ID | MAK-UNK-8be7dca9-1 |
ΔG / kcal M-1 | −9.0 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN40 | MAT-POS-8a69d52e-7_1 | MAK-UNK-8be7dca9-1_1 | −1.5 ± 0.2 | ||||||||
RUN52 | MAT-POS-8a69d52e-7_1 | MAK-UNK-8be7dca9-1_2 | 0.6 ± 0.3 |