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Biophysical Journal 54: 751-756 (1988)
© 1988 the Biophysical Society

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Application of Brownian motion theory to the analysis of membrane channel ionic trajectories calculated by molecular dynamics.

E Jakobsson and S W Chiu

Department of Physiology and Biophysics, University of Illinois, Urbana 61801.

ABSTRACT

This paper shows how Brownian motion theory can be used to analyze features of individual ion trajectories in channels as calculated by molecular dynamics, and that its use permits more precise determinations of diffusion coefficients than would otherwise be possible. We also show how a consideration of trajectories of single particles can distinguish between effects due to the magnitude of the diffusion coefficient and effects due to barriers and wells in the potential profile, effects which can not be distinguished by consideration of average fluxes.






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Copyright © 1988 by the Biophysical Society.