Supporting Material Model identification of a template-directed peptide network for optimization in a continuous reactor

The chemical system used in this communication is part of a complex molecular network described by Ashkenasy et al. [1] as an example of rational design in systems chemistry. The molecular network is engineered using nine different peptide sequences that interact via a template-directed peptide fragment condensation reaction at neutral pH. The templatedirected peptide network exhibits aspects of auto-catalysis, cross-catalysis and competition for limited resources. This supplemental material contains the documentation and analysis carried out for this chemical model including mechanisms for autoand cross-catalytic activity, kinetic parameter estimation, and simulation of this peptide network in the presence of an influent stream of reactants and an effluent stream of products (i.e. open mass system). These results shows how one can take advantage of a rational systems chemistry design in a continuous flow process.