What Is the Dielectric Constant of a Protein When Its Backbone Is Fixed?

@article{Simonson2013WhatIT,
  title={What Is the Dielectric Constant of a Protein When Its Backbone Is Fixed?},
  author={Thomas Simonson},
  journal={Journal of chemical theory and computation},
  year={2013},
  volume={9 10},
  pages={4603-8}
}
Monte Carlo (MC) simulations with a fixed protein backbone but mobile sidechains are common for acid/base constants and protein design. To characterize the fluctuations in these models, estimating the Fröhlich-Kirkwood dielectric constant can give physical insight and allow comparison both with models that are more rigorous (fully flexible) and ones that are simpler (Poisson-Boltmann without any explicit protein flexibility). MC simulations of two small proteins yield protein dielectric… CONTINUE READING
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