Development of a Computational Framework to Study Ion Transport through Mechanosensitive Ion Channels
Technical Report,01 Apr 2016,31 Dec 2018
US Army Research Laboratory Aberdeen Proving Ground United States
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External physical forces on neurons can alter cell-membrane tension and activate mechanosensitivity in ion channels, thereby altering membrane electrostatic potential, which may exacerbate traumatic brain injury. We present an efficient computational framework for studying ion channels under user-specified conditions of membrane potential, membrane tension, and asymmetric concentrations of multiple ion species. We demonstrate the use of the framework on a model neuronal K ion channel, finding reasonable agreement with experimental results. The methodology is general and can be applied to other ion channels and membrane proteins with various combinations of membrane potential, membrane tension, and ion concentration gradient.
- Atomic and Molecular Physics and Spectroscopy