rdf:type |
|
lifeskim:mentions |
|
pubmed:issue |
3 Pt 1
|
pubmed:dateCreated |
2006-10-9
|
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.
|
pubmed:language |
eng
|
pubmed:journal |
|
pubmed:citationSubset |
IM
|
pubmed:chemical |
|
pubmed:status |
MEDLINE
|
pubmed:month |
Sep
|
pubmed:issn |
1539-3755
|
pubmed:author |
|
pubmed:issnType |
Print
|
pubmed:volume |
74
|
pubmed:owner |
NLM
|
pubmed:authorsComplete |
Y
|
pubmed:pagination |
030905
|
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
|
pubmed:year |
2006
|
pubmed:articleTitle |
Nonequilibrium molecular dynamics calculation of the conductance of the KcsA potassium ion channel.
|
pubmed:affiliation |
Physics Department, University of Guelph, Guelph, Ontario, Canada, N1G 2W1.
|
pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
|