Issue 29, 2019

Atomistic characterization of collective protein–water–membrane dynamics

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

Supplementary files

Article information

Article type
Paper
Submitted
15 Feb 2019
Accepted
13 Apr 2019
First published
15 Apr 2019
This article is Open Access
Creative Commons BY-NC license

Phys. Chem. Chem. Phys., 2019,21, 15958-15965

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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