Compound ID | ALP-POS-477dc5b7-3 |
ΔG / kcal M-1 | −8.1 ± 0.2 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN37 | MAT-POS-8a69d52e-7_1 | ALP-POS-477dc5b7-3_1 | −0.5 ± 0.2 | ||||||||
RUN109 | MAT-POS-8a69d52e-7_1 | ALP-POS-477dc5b7-3_2 | 0.9 ± 0.2 |