Compound ID | DAR-DIA-23e5a6a0-4 |
ΔG / kcal M-1 | −13.1 ± 0.7 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN190 | MAT-POS-8a69d52e-7_1 | DAR-DIA-23e5a6a0-4_2 | −2.2 ± 0.3 | ||||||||
RUN177 | MAT-POS-8a69d52e-7_1 | DAR-DIA-23e5a6a0-4_1 | 2.0 ± 0.7 |