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Definition
Simulation of spin-label EPR spectra comprises a set of computational methods that allow extraction of magnetic and dynamic parameters such as rotational correlation times from EPR spectra by way of computing theoretical EPR spectra for given parameter sets employing various levels of spin physics and reorientational dynamics theory and using least-squares fitting algorithms to fit these spectra to the experimental ones.
Introduction
The EPR spectrum (Spin-Labeling EPR of Proteins: Dynamics and Water Accessibility of Spin-Label Side Chains, EPR Spectroscopy: General Principles) of a nitroxide spin label attached to a biomolecule (Chemistry of Spin Labeling, Spin Labeling of DNA and RNA, Spin-Labeling EPR of Proteins: Dynamics and Water Accessibility of Spin-Label Side Chains) is affected by the reorientational dynamics (Spin-Labeling EPR of Proteins: Dynamics and Water Accessibility of Spin-Label Side Chains) of the nitroxide ring. The dynamics...
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References
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© 2013 European Biophysical Societies' Association (EBSA)
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Stoll, S. (2013). Simulation of Spin-Label EPR Spectra. In: Roberts, G.C.K. (eds) Encyclopedia of Biophysics. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-16712-6_649
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DOI: https://doi.org/10.1007/978-3-642-16712-6_649
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-16711-9
Online ISBN: 978-3-642-16712-6
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