Modeling of biocatalytic reactions: A workflow for model calibration, selection, and validation using Bayesian statistics

التفاصيل البيبلوغرافية
العنوان: Modeling of biocatalytic reactions: A workflow for model calibration, selection, and validation using Bayesian statistics
المؤلفون: Eisenkolb, I., Jensch, A., Eisenkolb, K., Kramer, Andrei, Buchholz, P. C. F., Pleiss, J., Spiess, A., Radde, N. E.
المصدر: AIChE Journal.
الوصف: We present a workflow for kinetic modeling of biocatalytic reactions which combines methods from Bayesian learning and uncertainty quantification for model calibration, model selection, evaluation, and model reduction in a consistent statistical framework. Our workflow is particularly tailored to sparse data settings in which a considerable variability of the parameters remains after the models have been adapted to available data, a ubiquitous problem in many real‐world applications. Our workflow is exemplified on an enzyme‐catalyzed two‐substrate reaction mechanism describing the symmetric carboligation of 3,5‐dimethoxy‐benzaldehyde to (R)‐3,3′,5,5′‐tetramethoxybenzoin catalyzed by benzaldehyde lyase from Pseudomonas fluorescens. Results indicate a substrate‐dependent inactivation of enzyme, which is in accordance with other recent studies.
وصف الملف: print
URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-268288
https://doi.org/10.1002/aic.16866
قاعدة البيانات: SwePub
الوصف
تدمد:00011541
DOI:10.1002/aic.16866