3.5 | A graphical user interface for modeling
oleochemical biosynthesis
To facilitate the rapid implementation of our models, we integrated them
into a MATLAB-based graphical user interface (gui; Fig. 7). This gui
permits user-defined changes in enzyme, substrate, and cofactor
concentrations, and allows the user to specify alternative versions of
enzymes explored in this study (e.g., different thioesterases). Its
plotting feature can generate final product profiles at user-defined
time points or time courses for specific metabolites (e.g., acyl-ACPs).
Motivated by our analysis of different alcohol pathways, we added a
thiolase-based pathway for methyl ketone production (Fig. S9). The final
gui includes nine pathways, each parameterized with a mixture ofin vitro and in vivo studies.