Atomistic characterization of collective protein-water-membrane dynamics

Christopher Päslack, Lars V. Schafer, Matthias Heyden

Research output: Contribution to journalArticlepeer-review

7 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)15958-15965
Number of pages8
JournalPhysical Chemistry Chemical Physics
Issue number29
StatePublished - 2019

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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