Atomistic characterization of collective protein–water–membrane dynamics†
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.
- This article is part of the themed collection: 2019 PCCP HOT Articles