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rdf:type |
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lifeskim:mentions |
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pubmed:issue |
3 Pt 1
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pubmed:dateCreated |
2006-10-9
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pubmed:abstractText |
We have developed an efficient method for the atomistic determination of the conductance of a biological ion channel model by applying an external field to the conducting ions only. The underlying theory is discussed and demonstrated in a simple test system consisting of two ions in a box of water. Finally, the theory is applied to the experimentally determined structure of the KcsA potassium channel from which a conductance in reasonable agreement with the experimental result is predicted.
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pubmed:language |
eng
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pubmed:journal |
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pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Sep
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pubmed:issn |
1539-3755
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pubmed:author |
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pubmed:issnType |
Print
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pubmed:volume |
74
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
030905
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pubmed:meshHeading |
pubmed-meshheading:17025587-Bacterial Proteins,
pubmed-meshheading:17025587-Cations, Monovalent,
pubmed-meshheading:17025587-Computer Simulation,
pubmed-meshheading:17025587-Ion Channel Gating,
pubmed-meshheading:17025587-Models, Molecular,
pubmed-meshheading:17025587-Potassium,
pubmed-meshheading:17025587-Potassium Channels,
pubmed-meshheading:17025587-Protein Subunits,
pubmed-meshheading:17025587-Water
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pubmed:year |
2006
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pubmed:articleTitle |
Nonequilibrium molecular dynamics calculation of the conductance of the KcsA potassium ion channel.
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pubmed:affiliation |
Physics Department, University of Guelph, Guelph, Ontario, Canada, N1G 2W1.
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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