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Water Ordering at Membrane Interfaces Controls Fusion Dynamics
University of Virginia, USA.
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Theoretical & Computational Biophysics. Stockholm University, Sweden.ORCID iD: 0000-0002-2734-2794
Stanford University, United States .
2011 (English)In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 133, no 11, 3812-3815 p.Article in journal (Refereed) Published
Abstract [en]

Membrane interfaces are critical to many cellular functions, yet the vast array of molecular components involved make the fundamental physics of interaction difficult to define. Water has been shown to play an important role in the dynamics of small biological systems, for example when trapped in hydrophobic regions, but the molecular details of water have generally been thought dispensable when considering large membrane interfaces. Nevertheless, spectroscopic data indicate that water has distinct, ordered behavior near membrane surfaces. While coarse-grained simulations have achieved success recently in aiding understanding the dynamics of membrane assemblies, it is natural to ask, does the missing chemical nature of water play an important role? We have therefore performed atomic-resolution simulations of vesicle fusion to understand the role of chemical detail, particularly the molecular structure of water, in membrane fusion and at membrane interfaces more generally. These membrane interfaces present a form of hydrophilic confinement, yielding surprising, non-bulk-like water behavior.

Place, publisher, year, edition, pages
American Chemical Society , 2011. Vol. 133, no 11, 3812-3815 p.
National Category
Biophysics Theoretical Chemistry Bioinformatics and Systems Biology
Research subject
SRA - E-Science (SeRC)
URN: urn:nbn:se:kth:diva-33217DOI: 10.1021/ja200310dISI: 000288889900033ScopusID: 2-s2.0-79952740863OAI: diva2:422069
Swedish eā€Science Research Center

QC 20110610

Available from: 2011-06-10 Created: 2011-05-02 Last updated: 2016-04-28Bibliographically approved

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