Molecular modeling and simulation studies of ion channel structures, dynamics and mechanisms.

@article{Tai2008MolecularMA,
  title={Molecular modeling and simulation studies of ion channel structures, dynamics and mechanisms.},
  author={Kaihsu Tai and Philip Fowler and Younes Mokrab and Phillip J. Stansfeld and Mark S. P. Sansom},
  journal={Methods in cell biology},
  year={2008},
  volume={90},
  pages={233-65}
}
Ion channels are integral membrane proteins that enable selected ions to flow passively across membranes. Channel proteins have been the focus of computational approaches to relate their three-dimensional (3D) structure to their physiological function. We describe a number of computational tools to model ion channels. Homology modeling may be used to construct structural models of channels based on available X-ray structures. Electrostatics calculations enable an approximate evaluation of the… CONTINUE READING