Nanoelectropulse-Induced Changes in Cell Excitability: A Molecular Mechanism for Membrane Depolarization
Technical Report,15 Jun 2014,14 Jun 2019
Old Dominion Univ (Frank Reidy Research Center for Bioelectrics) Norfolk United States
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Molecular dynamics MD simulations of ion transport through lipid electropores support the hypothesis that a 5 ns electric pulse enables transport of sodium ions sufficient to depolarize an adrenal chromaffin cell. To carry out this work we converted our model systems from the old GROMOS-OPLS force fields to the newer CHARMM36 force fields and implemented changes in the ion models to improve interactions with water and with the phospholipid bilayer interface. We also initiated an investigation of the effect of transmembrane peptides on lipid bilayer systems in applied electric fields, to determine whether these peptides modify the probability of conductive defect formation.
- Atomic and Molecular Physics and Spectroscopy