Agent-based modelling of enzymatic digestion using experimental data
Résumé
Human digestion is a complex process that involves diffusion and reaction effects where enzymes govern the denaturation and breakdown of proteins. In this work we build an agentbased model of gastric digestion of gel pieces of plant proteins (rapeseed). This model has been designed with the aim to obtain a faster computation than dynamic molecular models, as fast simulations are actually a prerequisite for learning the values of model parameters from experimental data. We have so far exploited additional coarse-grained equation-based models to learn part of the parameters values using evolutionary optimization. Future developments will be devoted to extend the learning process to all parameters in the model
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