Calculation of the Geometries and Infrared Spectra of the Stacked Cofactor Flavin Adenine Dinucleotide (FAD) as the Prerequisite for Studies of Light-Triggered Proton and Electron Transfer

Flavin cofactors, like flavin adenine dinucleotide (FAD), are important electron shuttles in living systems. They catalyze a wide range of one- or two-electron redox reactions. Experimental investigations include UV-vis as well as infrared spectroscopy. FAD in aqueous solution exhibits a significant...

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Bibliographic Details

Published in:	Biomolecules
Main Authors:	Martina Kieninger, Oscar N. Ventura, Tilman Kottke
Format:	Article
Language:	English
Published:	MDPI AG 2020-04-01
Subjects:	stacked flavin adenine dinucleotide (FAD) in microsolvation vibrational spectra supramolecular orbitals
Online Access:	https://www.mdpi.com/2218-273X/10/4/573