Realistic simulation of the activation of voltage-gated ion channels.

ABSTRACT: Understanding the detailed mechanism of the activation of voltage-gated ion channels has been a problem of great current interest. Reliable molecular simulations of voltage effects present a major challenge because meaningful converging microscopic simulations are not yet available and macroscopic treatments involve major uncertainties regarding the dielectric constant used and other key features. The current work has overcome some of the above challenges by using our recently developed coarse-grained (CG) model in simulating the activation of the Kv1.2 channel. The CG model has allowed us to explore problems that cannot be addressed at present by fully microscopic simulations, while providing insights on some features that are not usually considered in continuum models, including the dist

SUBMITTER: Dryga A 

PROVIDER: S-EPMC3295319 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature