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

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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.

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Authors and Affiliations

  1. School of EECS, Russ College of Eng. & Tech., Ohio University, Athens, OH, 45701, USA

    J. Fonseca & S. Kaya

  2. Department of Biological Sciences, Ohio University, Athens, OH, 45701, USA

    S. Guennoun & R. Rakowski

Authors
  1. J. Fonseca
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  2. S. Kaya
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  3. S. Guennoun
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  4. R. Rakowski
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Correspondence to S. Kaya.

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Fonseca, J., Kaya, S., Guennoun, S. et al. Temporal analysis of valence & electrostatics in ion-motive sodium pump. J Comput Electron 6, 381–385 (2007). https://doi.org/10.1007/s10825-006-0141-3

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  • DOI: https://doi.org/10.1007/s10825-006-0141-3

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