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Modeling of biocata...
Modeling of biocatalytic reactions : A workflow for model calibration, selection, and validation using Bayesian statistics
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- Eisenkolb, I. (författare)
- Institute for Systems Theory and Automatic Control, University of Stuttgart, Stuttgart, Germany
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- Jensch, A. (författare)
- Institute for Systems Theory and Automatic Control, University of Stuttgart, Stuttgart, Germany
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- Eisenkolb, K. (författare)
- Institute for Systems Theory and Automatic Control, University of Stuttgart, Stuttgart, Germany
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- Kramer, Andrei (författare)
- KTH,Beräkningsvetenskap och beräkningsteknik (CST),Science for Life Laboratory, SciLifeLab
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- Buchholz, P. C. F. (författare)
- Institute for Systems Theory and Automatic Control, University of Stuttgart, Stuttgart, Germany
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- Pleiss, J. (författare)
- Institute for Biochemistry and Technical Biochemistry, University of Stuttgart, Stuttgart, Germany
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- Spiess, A. (författare)
- Institute for Biochemical Engineering, Technical University Braunschweig, Braunschweig, Germany
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- Radde, N. E. (författare)
- Institute for Systems Theory and Automatic Control, University of Stuttgart, Stuttgart, Germany
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(creator_code:org_t)
- 2019-12-05
- 2019
- Engelska.
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Ingår i: AIChE Journal. - : Wiley. - 0001-1541 .- 1547-5905.
- Relaterad länk:
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https://doi.org/10.1...
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https://aiche.online...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Industriell bioteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Industrial Biotechnology (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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