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001002265 1001_ $$0P:(DE-HGF)0$$aLauterbach, Simone$$b0
001002265 245__ $$aEnzymeML: seamless data flow and modeling of enzymatic data
001002265 260__ $$aLondon [u.a.]$$bNature Publishing Group$$c2023
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001002265 520__ $$aThe design of biocatalytic reaction systems is highly complex owing to the dependency of the estimated kinetic parameters on the enzyme, the reaction conditions, and the modeling method. Consequently, reproducibility of enzymatic experiments and reusability of enzymatic data are challenging. We developed the XML-based markup language EnzymeML to enable storage and exchange of enzymatic data such as reaction conditions, the time course of the substrate and the product, kinetic parameters and the kinetic model, thus making enzymatic data findable, accessible, interoperable and reusable (FAIR). The feasibility and usefulness of the EnzymeML toolbox is demonstrated in six scenarios, for which data and metadata of different enzymatic reactions are collected and analyzed. EnzymeML serves as a seamless communication channel between experimental platforms, electronic lab notebooks, tools for modeling of enzyme kinetics, publication platforms and enzymatic reaction databases. EnzymeML is open and transparent, and invites the community to contribute. All documents and codes are freely available at https://enzymeml.org.
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001002265 7001_ $$0P:(DE-HGF)0$$aDienhart, Hannah$$b1
001002265 7001_ $$0P:(DE-HGF)0$$aRange, Jan$$b2
001002265 7001_ $$aMalzacher, Stephan$$b3
001002265 7001_ $$0P:(DE-Juel1)178052$$aSpöring, Jan-Dirk$$b4
001002265 7001_ $$0P:(DE-Juel1)144643$$aRother, Dörte$$b5
001002265 7001_ $$00000-0002-6337-3459$$aPinto, Maria Filipa$$b6
001002265 7001_ $$0P:(DE-HGF)0$$aMartins, Pedro$$b7
001002265 7001_ $$0P:(DE-HGF)0$$aLagerman, Colton E.$$b8
001002265 7001_ $$00000-0003-4658-1675$$aBommarius, Andreas S.$$b9
001002265 7001_ $$aHøst, Amalie Vang$$b10
001002265 7001_ $$00000-0002-7976-2483$$aWoodley, John M.$$b11
001002265 7001_ $$00000-0003-4930-4526$$aNgubane, Sandile$$b12
001002265 7001_ $$00000-0003-0958-9846$$aKudanga, Tukayi$$b13
001002265 7001_ $$00000-0001-5553-4702$$aBergmann, Frank T.$$b14
001002265 7001_ $$00000-0001-6288-8904$$aRohwer, Johann M.$$b15
001002265 7001_ $$00000-0002-8524-0569$$aIglezakis, Dorothea$$b16
001002265 7001_ $$0P:(DE-HGF)0$$aWeidemann, Andreas$$b17
001002265 7001_ $$00000-0002-9077-5664$$aWittig, Ulrike$$b18
001002265 7001_ $$00000-0002-8697-6842$$aKettner, Carsten$$b19
001002265 7001_ $$0P:(DE-HGF)0$$aSwainston, Neil$$b20
001002265 7001_ $$00000-0002-9477-3914$$aSchnell, Santiago$$b21
001002265 7001_ $$00000-0003-1045-8202$$aPleiss, Jürgen$$b22$$eCorresponding author
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