Membrane potential and dynamics in a ternary lipid mixture: insights from molecular dynamics simulations.

ABSTRACT: Transmembrane potential (Vm) plays critical roles in cell signaling and other functions. However, the impact of Vm on the structure and dynamics of membrane lipids and proteins, which are critical for the regulation of signaling, is still an open question. All-atom molecular dynamics (MD) simulation is emerging as a useful technique to address this issue. Previous atomistic MD simulations of pure or binary model membranes indicated that both ion imbalance and electric field can be used to generate Vm, but both approaches failed to yield structural changes in lipids with statistical significance. We hypothesized that a possible reason for this could be oversimplified membrane composition or limited sampling. In this work, we tested if and how Vm modulates the structure and dynamics of lipid

SUBMITTER: Lin X 

PROVIDER: S-EPMC5999591 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature