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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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| Autors principals: | , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Institute of Physics
2008
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| Matèries: | |
| Accés en línia: | 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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