Computational Studies on Polarization Effects and Selectivity in K+ Channels
Umbrella sampling in combination with a polarizable QM/MM model have been used to study the role of electrostatics and polarization in the translocation and selectivity properties of two K+ channels, KcsA and KirBac, with ions traversing the channel according to an ion-water-ion mechanism. Analysis...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2010
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