Temporal Analysis of Valence & Electrostatics in Ion-Motive Sodium Pump.

ABSTRACT: The present work establishes a unique framework for the simulation study of ion-motive pumps in general and the Na(+)/K(+)-ATPase, or sodium pump, in particular. We shall discuss the implications of electrostatic analysis, valence calculations, and protein cavity data, each carried over data extracted from molecular dynamics simulations, on the structure-function relationship of Na(+)/K(+)-ATPase. These diverse set of tools will be used to investigate atomic-level characteristics that remain undetermined such as ion binding and accessibility.

SUBMITTER: Fonseca J 

PROVIDER: S-EPMC1858632 | biostudies-literature | 2007 Sep

REPOSITORIES: biostudies-literature