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         "id"   : "https://puma.ub.uni-stuttgart.de/bibtex/29c9caff91e346c4f891c3d194544856d/ist_bib",         
         "tags" : [
            "thiamine-diphosphate-dependent","kinetics,","Markov","chain","profile","enzymes","residual","Monte","Carlo,","parameter","estimation,","analysis,","likelihood,","carboligation,","enzyme"
         ],
         
         "intraHash" : "9c9caff91e346c4f891c3d194544856d",
         "interHash" : "4aca8773eed70a784642cd9ba45c8c3d",
         "label" : "Modeling of biocatalytic reactions: A workflow for model calibration, selection, and validation using Bayesian statistics",
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         "date" : "2021-05-18 15:30:24",
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         "pub-type": "article",
         "journal": "AIChE Journal",
         "year": "2019", 
         "url": "https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/aic.16866", 
         
         "author": [ 
            "Ina Eisenkolb","Antje Jensch","Kerstin Eisenkolb","Andrei Kramer","Patrick C. F. Buchholz","Jürgen Pleiss","Antje Spiess","Nicole E. Radde"
         ],
         "authors": [
         	
            	{"first" : "Ina",	"last" : "Eisenkolb"},
            	{"first" : "Antje",	"last" : "Jensch"},
            	{"first" : "Kerstin",	"last" : "Eisenkolb"},
            	{"first" : "Andrei",	"last" : "Kramer"},
            	{"first" : "Patrick C. F.",	"last" : "Buchholz"},
            	{"first" : "Jürgen",	"last" : "Pleiss"},
            	{"first" : "Antje",	"last" : "Spiess"},
            	{"first" : "Nicole E.",	"last" : "Radde"}
         ],
         "volume": "n/a","number": "n/a","pages": "e16866","abstract": "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 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.",
         "groups" : "pfitz:6",
         
         "eprint" : "https://aiche.onlinelibrary.wiley.com/doi/pdf/10.1002/aic.16866",
         
         "doi" : "10.1002/aic.16866",
         
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