作者
Daniel Zielinski, Marta RA Matos, James E de Bree, Kevin Glass, Nikolaus Sonnenschein, Bernhard O Palsson
发表日期
2023
期刊
bioRxiv
页码范围
2023.12. 05.570215
出版商
Cold Spring Harbor Laboratory
简介
Kinetic models of metabolism are promising platforms for studying complex metabolic systems and designing production strains. Given the availability of enzyme kinetic data from historical experiments and machine learning estimation tools, a straightforward modeling approach is to assemble kinetic data enzyme by enzyme until a desired scale is reached. However, this type of ‘bottom up’ parameterization of kinetic models has been difficult due to a number of issues including gaps in kinetic parameters, the complexity of enzyme mechanisms, inconsistencies between parameters obtained from different sources, and in vitro-in vivo differences. Here, we present a computational workflow for the robust estimation of kinetic parameters for detailed mass action enzyme models while taking into account parameter uncertainty. The resulting software package, termed MASSef (the Mass Action Stoichiometry Simulation …
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