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Finite-Size-Corrected Rotational Diffusion Coefficients of Membrane Proteins and Carbon Nanotubes from Molecular Dynamics Simulations

[Image: see text] We investigate system-size effects on the rotational diffusion of membrane proteins and other membrane-embedded molecules in molecular dynamics simulations. We find that the rotational diffusion coefficient slows down relative to the infinite-system value by a factor of one minus t...

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Detalles Bibliográficos
Autores principales: Vögele, Martin, Köfinger, Jürgen, Hummer, Gerhard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6750896/
https://www.ncbi.nlm.nih.gov/pubmed/31132280
http://dx.doi.org/10.1021/acs.jpcb.9b01656