Compound ID | DAR-DIA-23e5a6a0-3 |
ΔG / kcal M-1 | −9.4 ± 0.6 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN14 | MAT-POS-8a69d52e-7_1 | DAR-DIA-23e5a6a0-3_1 | −1.8 ± 0.7 | ||||||||
RUN59 | MAT-POS-8a69d52e-7_1 | DAR-DIA-23e5a6a0-3_2 | −0.7 ± 0.4 |