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Issue 29, 2019
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Atomistic characterization of collective protein–water–membrane dynamics

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Abstract

Correlated vibrational motion on the sub-picosecond timescale and associated collective dynamics in a protein–membrane environment are characterized using molecular dynamics simulations. We specifically analyze correlated motion of a membrane-associated protein and a lipid bilayer for distinct separation distances. Correlated vibrations persist up to distances of 25 Å between both biomolecular surfaces. These correlations are mediated by separating layers of water molecules, whose collective properties are altered by the simultaneous presence of protein and lipid bilayer interfaces.

Graphical abstract: Atomistic characterization of collective protein–water–membrane dynamics

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Publication details

The article was received on 15 Feb 2019, accepted on 13 Apr 2019 and first published on 15 Apr 2019


Article type: Paper
DOI: 10.1039/C9CP00725C
Phys. Chem. Chem. Phys., 2019,21, 15958-15965

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    Atomistic characterization of collective protein–water–membrane dynamics

    C. Päslack, L. V. Schäfer and M. Heyden, Phys. Chem. Chem. Phys., 2019, 21, 15958
    DOI: 10.1039/C9CP00725C

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