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Carbon nanotube as a gramicidin analogue

Hilder, Tamsyn; Chung, Shin-Ho


We have designed a carbon nanotube that is selectively permeable to monovalent cations, binds divalent cations and rejects anions. The nanotubes, with an effective radius of 4.53 and length of 36 , are terminated with hydrogen atoms and are exohydrogenated in two regions near the entrance and exit. Using molecular and stochastic dynamics simulations we examine the free energy, current-voltage-concentration profiles and ion binding sites. The characteristics of this channel are comparable to the...[Show more]

CollectionsANU Research Publications
Date published: 2011
Type: Journal article
Source: Chemical Physics Letters
DOI: 10.1016/j.cplett.2010.11.034


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