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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Sezer, Deniz, Freed, Jack H., Roux, Benoît
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: American Institute of Physics 2008
Pynciau:
Mynediad Ar-lein: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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