Compound ID | DAR-DIA-23e5a6a0-2 |
ΔG / kcal M-1 | −8.7 ± 0.4 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN4 | MAT-POS-8a69d52e-7_1 | DAR-DIA-23e5a6a0-2_1 | −1.1 ± 0.5 | ||||||||
RUN19 | MAT-POS-8a69d52e-7_1 | DAR-DIA-23e5a6a0-2_2 | 0.4 ± 0.3 |