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Journal of Computational Electronics

, Volume 6, Issue 1–3, pp 381–385 | Cite as

Temporal analysis of valence & electrostatics in ion-motive sodium pump

  • J. Fonseca
  • S. Kaya
  • S. Guennoun
  • R. Rakowski
Article

Abstract

The present work establishes a unique framework for the simulation study of ion-motive pumps in general and the Na+/K+-ATPase, or Na+ 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 (MD) simulations, on the structure-function relationship of Na+/K+-ATPase. This diverse set of tools will be used to investigate atomic-level characteristics that remain undetermined such as ion binding and accessibility.

Keywords

Na+/K+-ATPase Homology modeling Molecular dynamics 

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Copyright information

© 2006 2006

Authors and Affiliations

  1. 1.School of EECS, Russ College of Eng. & Tech.Ohio UniversityAthensUSA
  2. 2.Department of Biological SciencesOhio UniversityAthensUSA

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