Journal of Undergraduate Research
Keywords
non-equilibrium, ion channel, aqueous NaCl
College
Life Sciences
Department
Physiology and Developmental Biology
Abstract
An ion channel is a tunnel that allows ions to cross a barrier. Ion channels are common components of cellular membranes, helping to regulate ionic concentrations in different areas inside or outside cells. Electrical and/or concentration differences between one side of a membrane and the other often drive the net flow of ions in one direction or the other across the membrane. Theoretical biophysicists have used computer-based molecular dynamics simulations for years now to study the behavior of ions within ion channels under equilibrium conditions. Before our study, however, few or no studies had been done in which molecular dynamics simulations were used to observe the movement of ions from solution into an ion channel and across the channel under the influence of a driving force.1 Claims by authors such as Eisenberg that such a study would be fraught with difficulty only increased my eagerness to complete one.
Recommended Citation
Holladay, Nathan B. and Busath, David D.
(2013)
"Non-equilibrium Molecular Dynamics Study of an Ion Channel with Aqueous NaCl: A Slab Geometry Approach,"
Journal of Undergraduate Research: Vol. 2013:
Iss.
1, Article 1495.
Available at:
https://scholarsarchive.byu.edu/jur/vol2013/iss1/1495