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Simulating electron spin resonance spectra of nitroxide spin labels from molecular dynamics and stochastic trajectories

Simulating electron spin resonance spectra of nitroxide spin labels from motional models is necessary for the quantitative analysis of experimental spectra. We present a framework for modeling the spin label dynamics by using trajectories such as those from molecular dynamics (MD) simulations combin...

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Detalhes bibliográficos
Main Authors: Sezer, Deniz, Freed, Jack H., Roux, Benoît
Formato: Artigo
Idioma:Inglês
Publicado em: American Institute of Physics 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2809671/
https://ncbi.nlm.nih.gov/pubmed/18447510
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2908075
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