Discretised Flux Balance Analysis for Reaction–Diffusion Simulation of Single-Cell Metabolism
Yin Hoon Chew,
Fabian Spill
Abstract:Metabolites have to diffuse within the sub-cellular compartments they occupy to specific locations where enzymes are, so reactions could occur. Conventional flux balance analysis (FBA), a method based on linear programming that is commonly used to model metabolism, implicitly assumes that all enzymatic reactions are not diffusion-limited though that may not always be the case. In this work, we have developed a spatial method that implements FBA on a grid-based system, to enable the exploration of diffusion eff… Show more
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