Ontology highlight
ABSTRACT:
SUBMITTER: Finnerty JJ
PROVIDER: S-EPMC4603898 | biostudies-literature | 2015
REPOSITORIES: biostudies-literature
Finnerty Justin John JJ Peyser Alexander A Carloni Paolo P
PloS one 20151013 10
Cation selective channels constitute the gate for ion currents through the cell membrane. Here we present an improved statistical mechanical model based on atomistic structural information, cation hydration state and without tuned parameters that reproduces the selectivity of biological Na+ and Ca2+ ion channels. The importance of the inclusion of step-wise cation hydration in these results confirms the essential role partial dehydration plays in the bacterial Na+ channels. The model, proven rel ...[more]