Adaptive Brownian dynamics for shape estimation of sodium ion channels

TitleAdaptive Brownian dynamics for shape estimation of sodium ion channels
Publication TypeJournal Article
Year of Publication2007
AuthorsKrishnamurthy, V., T. Vora, and S. H. Chung
JournalJournal of Nano Science and Nano Technology
Volume7
Pagination2273–2282
ISSN1533-4880
Abstract

Ion channels are protein macromolecules that form biological nanotubes across the membranes of living cells. Given many possible geometrical shapes of an ion channel, we propose a computational scheme of selecting the model that best replicates experimental observations, using adaptive Brownian dynamics simulations together with discrete optimization algorithms. Brownian dynamics simulations emulate the propagation of individual ions through the sodium channel nanotube at a femto time second time scale and Angstrom unit (10(-10) meter) spatial scale.

URLhttp://dx.doi.org/10.1166/jnn.2007.648
DOI10.1166/jnn.2007.648

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