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http://dx.doi.org/10.18419/opus-10821
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DC Element | Wert | Sprache |
---|---|---|
dc.contributor.author | Eisenkolb, Ina | - |
dc.contributor.author | Jensch, Antje | - |
dc.contributor.author | Eisenkolb, Kerstin | - |
dc.contributor.author | Kramer, Andrei | - |
dc.contributor.author | Buchholz, Patrick C. F. | - |
dc.contributor.author | Pleiss, Jürgen | - |
dc.contributor.author | Spiess, Antje | - |
dc.contributor.author | Radde, Nicole | - |
dc.date.accessioned | 2020-04-03T07:50:34Z | - |
dc.date.available | 2020-04-03T07:50:34Z | - |
dc.date.issued | 2019 | de |
dc.identifier.issn | 1547-5905 | - |
dc.identifier.other | 1694077489 | - |
dc.identifier.uri | http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-108383 | de |
dc.identifier.uri | http://elib.uni-stuttgart.de/handle/11682/10838 | - |
dc.identifier.uri | http://dx.doi.org/10.18419/opus-10821 | - |
dc.description.abstract | 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 frame-work. 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. | en |
dc.language.iso | en | de |
dc.relation.uri | doi:10.1002/aic.16866 | de |
dc.rights | info:eu-repo/semantics/openAccess | de |
dc.subject.ddc | 570 | de |
dc.title | Modeling of biocatalytic reactions: a workflow for model calibration, selection, and validation using Bayesian statistics | en |
dc.type | article | de |
ubs.fakultaet | Chemie | de |
ubs.fakultaet | Konstruktions-, Produktions- und Fahrzeugtechnik | de |
ubs.fakultaet | Fakultätsübergreifend / Sonstige Einrichtung | de |
ubs.institut | Institut für Biochemie und Technische Biochemie | de |
ubs.institut | Institut für Systemtheorie und Regelungstechnik | de |
ubs.institut | Fakultätsübergreifend / Sonstige Einrichtung | de |
ubs.publikation.seiten | 13, 7 | de |
ubs.publikation.source | AIChE journal 66 (2020), e16866 | de |
ubs.publikation.typ | Zeitschriftenartikel | de |
Enthalten in den Sammlungen: | 07 Fakultät Konstruktions-, Produktions- und Fahrzeugtechnik |
Dateien zu dieser Ressource:
Datei | Beschreibung | Größe | Format | |
---|---|---|---|---|
Eisenkolbetal_2020_Modeling_of_biocatalytic_reactions.pdf | Article | 3,6 MB | Adobe PDF | Öffnen/Anzeigen |
Eisenkolbetal_2020_Modeling_of_biocatalytic_reactions_Suppl.pdf | Supporting information | 3,46 MB | Adobe PDF | Öffnen/Anzeigen |
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