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Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporins

We report here a detailed thermodynamic description of water molecules inside a biological water channel. Taking advantage of high-resolution molecular dynamics trajectories calculated for an aquaporin (AQP) channel, we compute the spatial translational and rotational components of water diffusion a...

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Autori principali: Barati Farimani, A., Aluru, N. R., Tajkhorshid, Emad
Natura: Artigo
Lingua:Inglês
Pubblicazione: AIP Publishing LLC 2014
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4187254/
https://ncbi.nlm.nih.gov/pubmed/25316927
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4893782
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