• Publications
  • Influence
Membrane electroporation: a molecular dynamics simulation.
  • M. Tarek
  • Chemistry, Medicine
  • Biophysical journal
  • 1 June 2005
We present results of molecular dynamics simulations of lipid bilayers under a high transverse electrical field aimed at investigating their electroporation. Several systems are studied, namely 1), aExpand
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Intermediate states of the Kv1.2 voltage sensor from atomistic molecular dynamics simulations
The response of a membrane-bound Kv1.2 ion channel to an applied transmembrane potential has been studied using molecular dynamics simulations. Channel deactivation is shown to involve threeExpand
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Domain–domain interactions determine the gating, permeation, pharmacology, and subunit modulation of the IKs ion channel
Voltage-gated ion channels generate electrical currents that control muscle contraction, encode neuronal information, and trigger hormonal release. Tissue-specific expression of accessory (β)Expand
  • 54
  • 10
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Cell membrane electroporation- Part 1: The phenomenon
Each biological cell, trillions of which build our bodies, is enveloped by its plasma membrane. Composed largely of a bilayer (double layer) of lipids just two molecules thick (about 5 nm), andExpand
  • 262
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An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations
Developing an understanding of the mechanism of voltage-gated ion channels in molecular terms requires knowledge of the structure of the active and resting conformations. Although the active-stateExpand
  • 151
  • 4
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Membrane Electroporation and Electropermeabilization: Mechanisms and Models.
Exposure of biological cells to high-voltage, short-duration electric pulses causes a transient increase in their plasma membrane permeability, allowing transmembrane transport of otherwiseExpand
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Molecular Dynamics Simulations of Lipid Membrane Electroporation
The permeability of cell membranes can be transiently increased following the application of external electric fields. Theoretical approaches such as molecular modeling provide a significant insightExpand
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Effects of anesthetics on the structure of a phospholipid bilayer: molecular dynamics investigation of halothane in the hydrated liquid crystal phase of dipalmitoylphosphatidylcholine.
We report the results of constant temperature and pressure molecular dynamics calculations carried out on the liquid crystal (Lalpha) phase of dipalmitoylphosphatidylcholine with a mole fraction ofExpand
  • 81
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Modeling membranes under a transmembrane potential.
Accurate modeling of ion transport through synthetic and biological transmembrane channels has been so far a challenging problem. We introduce here a new method that allows one to study suchExpand
  • 84
  • 3
Distribution of halothane in a dipalmitoylphosphatidylcholine bilayer from molecular dynamics calculations.
We report a 2-ns constant pressure molecular dynamics simulation of halothane, at a mol fraction of 50%, in the hydrated liquid crystal bilayer phase of dipalmitoylphosphatidylcholine. HalothaneExpand
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