Calculation of the electrostatic potential of lipid bilayers from molecular dynamics simulations: methodological issues.

@article{Gurtovenko2009CalculationOT,
  title={Calculation of the electrostatic potential of lipid bilayers from molecular dynamics simulations: methodological issues.},
  author={Andrey A Gurtovenko and Ilpo Vattulainen},
  journal={The Journal of chemical physics},
  year={2009},
  volume={130 21},
  pages={215107}
}
The electrostatic properties of lipid membranes are of profound importance as they are directly associated with membrane potential and, consequently, with numerous membrane-mediated biological phenomena. Here we address a number of methodological issues related to the computation of the electrostatic potential from atomic-scale molecular dynamics simulations of lipid bilayers. We discuss two slightly different forms of Poisson equation that are normally used to calculate the membrane potential… CONTINUE READING

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