Sign up & Download
Sign in

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

by Kaihsu Tai, Philip Fowler, Younes Mokrab, Phillip Stansfeld, Mark S P Sansom
Methods in cell biology ()

Abstract

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 energy profile of an ion passing through a channel. Molecular dynamics simulations and free-energy calculations provide information on the thermodynamics and kinetics of channel function.

Cite this document (BETA)

Authors on Mendeley

Readership Statistics

16 Readers on Mendeley
by Discipline
 
 
 
by Academic Status
 
38% Ph.D. Student
 
13% Post Doc
 
13% Researcher (at an Academic Institution)
by Country
 
13% United Kingdom
 
6% Brazil

Sign up today - FREE

Mendeley saves you time finding and organizing research. Learn more

  • All your research in one place
  • Add and import papers easily
  • Access it anywhere, anytime

Start using Mendeley in seconds!

Already have an account? Sign in