Improving the treatment of coarse-grain electrostatics: CVCEL.

@article{Ceres2015ImprovingTT,
  title={Improving the treatment of coarse-grain electrostatics: CVCEL.},
  author={Nicoletta Ceres and Richard Lavery},
  journal={The Journal of chemical physics},
  year={2015},
  volume={143 24},
  pages={243118}
}
We propose an analytic approach for calculating the electrostatic energy of proteins or protein complexes in aqueous solution. This method, termed CVCEL (Circular Variance Continuum ELectrostatics), is fitted to Poisson calculations and is able to reproduce the corresponding energies for different choices of solute dielectric constant. CVCEL thus treats… CONTINUE READING