Concepts in bio-molecular spectroscopy: vibrational case studies on metalloenzymes

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 con...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2015-07, Vol.17 (28), p.18222-18237
Main Authors: Horch, M, Hildebrandt, P, Zebger, I
Format: Article
Language:English
Subjects:
Biocatalysis
Biological
Computation
Dynamics
Hydrogenase
Hydrogenase - chemistry
Hydrogenase - metabolism
Laying
Molecular Dynamics Simulation
Oxidation-Reduction
Oxidoreductases - chemistry
Oxidoreductases - metabolism
Physical chemistry
Quantum Theory
Reductases
Spectrophotometry, Infrared
Spectroscopy
Vibration
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Summary: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. Challenges and chances in bio-molecular spectroscopy are exemplified by vibrational case studies on metalloenzymes.
ISSN:1463-9076
1463-9084
DOI:10.1039/c5cp02447a