Impact of deep eutectic solvents (DESs) and individual DES components on alcohol dehydrogenase catalysis: connecting experimental data and molecular dynamics simulations
Jan Philipp Bittner, Ningning Zhang, Lei Huang, Pablo Domı́nguez de Marı́a, Sven Jakobtorweihen, Selin Kara
Abstract
The systematic study on the effects of DESs and their individual components with the joint forces of experiments and MD simulations for the design of enzyme-compatible green solvents.
Topics & Concepts
Eutectic systemMolecular dynamicsCatalysisAlcohol dehydrogenaseChemistryAlcoholDynamics (music)Computational chemistryMaterials scienceOrganic chemistryPhysicsAlloyAcousticsIonic liquids properties and applicationsChemical and Physical Properties in Aqueous SolutionsExtraction and Separation Processes