Nano Science and Technology Institute
Nanotech 2002 Vol. 2
Nanotech 2002 Vol. 2
Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
 
Chapter 4: Biological Conduction Processes
 

Combining Computational Chemistry and Computational Electronics to Understand Protein Ion Channels

Authors:T. van der Straaten, S. Varma, S-W Chiu, J. Tang, N.R. Aluru, R.S. Eisenberg, U. Ravaioli and E. Jakobsson
Affilation:University of Illinois, US
Pages:60 - 63
Keywords:ion channels, computational electronics, molecular dynamics, electrostatics, electrodiffusion
Abstract:Nanoscale computational engineering can be achieved by combining atomic and molecular scale methods of computational chemistry with coarser-grained continuum theories used in computational electronics. Each computational discipline is quite different; yet both must give the same results if they are done correctly. Here we apply both classes of simulation technique to the specific problem of computing ion current in protein channels. In the biological tradition, ion channels are transport enzymes, catalyzing the movement of ions from one side of a membrane to the other. In the tradition of nanodevices, ion channels can be viewed as transistors with unusual properties_exquisite sensitivity to specific environment factors and ability to self-assemble.
Combining Computational Chemistry and Computational Electronics to Understand Protein Ion ChannelsView PDF of paper
ISBN:0-9708275-6-3
Pages:504
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