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Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectories
Simulating electron spin resonance (ESR) spectra directly from molecular dynamics simulations of a spin labeled protein necessitates a large number (hundreds or thousands) of relatively long (hundreds of ns) trajectories. To meet this challenge, we explore the possibility of constructing accurate st...
Tallennettuna:
| Päätekijät: | , , |
|---|---|
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
2008
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2562300/ https://ncbi.nlm.nih.gov/pubmed/18698714 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp801608v |
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