English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

It has been difficult to reproduce an arbitrary value of a membrane potential in molecular dynamics (MD) simulations for lipid bilayer systems because the membrane potential is sensitively affected by the net charge difference. The membrane potential and membrane properties depend on the intra- and extracellular ion concentrations. In this paper, we present a simple procedure to reproduce an arbitrary value of the membrane potential by all-atom MD simulations for two POPC bilayers system. The calculated membrane capacitance is consistent with an experimental result for the POPC. We show a correlation between the ion imbalance and the number of lipid molecules per leaflet to reproduce an arbitrary value of the membrane potential in MD simulations. Moreover, we show an asymmetry of lipid head group induced by the electronic polarizability and an asymmetry of lipid tail and water molecules on the membrane surface induced by the ion concentration gradient.

Molecular dynamics study of lipid bilayer asymmetry induced by ion concentration gradient and electronic polarizability