Compound ID | MAK-UNK-8be7dca9-7 |
ΔG / kcal M-1 | −7.9 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN90 | MAT-POS-8a69d52e-7_1 | MAK-UNK-8be7dca9-7_1 | −0.4 ± 0.2 | ||||||||
RUN126 | MAT-POS-8a69d52e-7_1 | MAK-UNK-8be7dca9-7_2 | 2.2 ± 0.2 |