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Adaptive Brownian Dynamics for Shape Estimation of Sodium Ion Channels

Krishnamurthy, Vikram; Vora, Taira; Chung, Shin-Ho


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...[Show more]

CollectionsANU Research Publications
Date published: 2007
Type: Journal article
Source: Journal of Nanoscience and Nanotechnology
DOI: 10.1166/jnn.2007.648


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