A guiding potential method for evaluating the bending rigidity of tensionless lipid membranes from molecular simulation.

@article{Kawamoto2013AGP,
  title={A guiding potential method for evaluating the bending rigidity of tensionless lipid membranes from molecular simulation.},
  author={Shuhei Kawamoto and Takenobu Nakamura and Steven O Nielsen and Wataru Shinoda},
  journal={The Journal of chemical physics},
  year={2013},
  volume={139 3},
  pages={034108}
}
A new method is proposed to estimate the bending rigidity of lipid membranes from molecular dynamics simulations. An external cylindrical guiding potential is used to impose a sinusoidal deformation to a planar membrane. The bending rigidity is obtained from the mean force acting on the cylinder by calibrating against a discretized Helfrich model that accounts for thermal fluctuations of the membrane surface. The method has been successfully applied to a dimyristoyl phosphatidylcholine bilayer… CONTINUE READING