6533b827fe1ef96bd128673a

RESEARCH PRODUCT

Internal rotation of 1,2-dichloroethane in haloalkane dehalogenase. A test case for analyzing electrostatic effects in enzymes

Iñaki TuñónEstanislao SillaAlejandro Soriano

subject

chemistry.chemical_classificationStereochemistryInternal rotation12-DichloroethaneRotationMolecular conformationSurfaces Coatings and Filmschemistry.chemical_compoundEnzymechemistryComputational chemistryMaterials ChemistryMoleculePhysical and Theoretical ChemistrySolvent effectsHaloalkane dehalogenase

description

1,2-Dichoroethane (DCE) is a prototypical molecule for studying electrostatic solvent effects on molecular conformation as far as rotation around the carbon−carbon bond notably changes the electric...

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