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.