Active learning maps the emergent dynamics of enzymatic reaction networks.

29 August 2024, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The dynamic properties of enzymatic reaction networks (ERNs) are difficult to predict due to the emergence of allosteric interactions, product inhibitions and the competition for resources, that all only materialize once the networks have been assembled. Combining experimental kinetics studies with computational modelling allows us to extract information on these emergent dynamic properties and build predictive models. Here, we utilized the pentose phosphate pathway to demonstrate that previously reported approaches to construct maximally informative datasets can be significantly improved by pulsing both enzymes and substrates into microfluidic flow reactors (instead of substrates only). Our method augments information available from online databases, to map the emergent dynamic behaviours of a network.

Keywords

enzymatic reaction networks
optimal design
microfluidics
pentose phosphate pathway
emergent dynamics
biocatalysis
flow reactors
maximally informative data
kinetic modeling.

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