Na+ permeation through its protein channels, from molecular dynamics to continuum modeling

Abstract

Researchers can reach important information about cell cycles such as migration, growth and muscle contraction, by studying the change of ion concentrations in animal cells. In the current work we have proposed three di erent techniques to study the passive ions motion in protein channels on di erent time scales. Molecular dynamics, Langevin dynamics and continuum models of mass transport are used to investigate ion transport from small to large time scales......................