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| Home > Publications database > Statistical mechanical models for cation selectivity in biological channels |
| Conference Presentation (Invited) | FZJ-2015-05951 |
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2015
Abstract: Cation selective channels constitute the gate for ion currents through the cell membrane. These proteins select between the physiologically important Na+, K+ and Ca2+ cations. Here we present a statistical mechanical model based on atomistic structural information and without tuned parameters that reproduces the selectivity of bacterial Na+ and Ca2+ selective ion channels, the only such channels for which we have X-ray structures. The importance of the inclusion of step-wise cation hydration in these results confirms the essential role partial dehydration plays in the bacterial Na+ channels. The model, proven reliable against experimental data, could be straightforwardly used for designing Na+ and Ca2+ selective nanopores.
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