title: Concepts in bio-molecular spectroscopy: vibrational case studies on metalloenzymes.
abstract: Spectroscopic techniques play a major role in the elucidation of structure-function relationships of biological macromolecules. Here we describe an integrated approach for bio-molecular spectroscopy that takes into account the special characteristics of such compounds. The underlying fundamental concepts will be exemplarily illustrated by means of selected case studies on biocatalysts, namely hydrogenase and superoxide reductase. The treatise will be concluded with an overview of challenges and future prospects, laying emphasis on functional dynamics, in vivo studies, and computational spectroscopy.
authors.affiliation: Technische Universität Berlin, Institut für Chemie, Sekr. PC14, Straße des 17. Juni 135, D-10623 Berlin, Germany. marius.horch@gmx.de ingo.zebger@tu-berlin.de.
authors.forename: M
authors.initials: M
authors.lastname: Horch
authors.forename: P
authors.initials: P
authors.lastname: Hildebrandt
authors.forename: I
authors.initials: I
authors.lastname: Zebger
mesh_terms: D055162:Biocatalysis; D006864:Hydrogenase / Q000737:chemistry* / Q000378:metabolism; D056004:Molecular Dynamics Simulation; D010084:Oxidation-Reduction; D010088:Oxidoreductases / Q000737:chemistry* / Q000378:metabolism; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared; D014732:Vibration
chemical_list: D010088:Oxidoreductases; C121849:superoxide reductase; D006864:Hydrogenase