Localization of Millisecond Dynamics: Dihedral Entropy from Accelerated MD

[Image: see text] Here, we demonstrate a method to capture local dynamics on a time scale 3 orders of magnitude beyond state-of-the-art simulation approaches. We apply accelerated molecular dynamics simulations for conformational sampling and extract reweighted backbone dihedral distributions. Local...

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Detalles Bibliográficos
Autores principales: Kamenik, Anna S., Kahler, Ursula, Fuchs, Julian E., Liedl, Klaus R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4980685/
https://www.ncbi.nlm.nih.gov/pubmed/27322931
http://dx.doi.org/10.1021/acs.jctc.6b00231

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4980685/
https://www.ncbi.nlm.nih.gov/pubmed/27322931
http://dx.doi.org/10.1021/acs.jctc.6b00231

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