Modeling ion channels using Poisson-Nernst-Planck theory as an integrated approach to introducing nanotechnology concepts: The PNP cyclic peptide ion channel model

Brian Radak, Hyonseok Hwang, George C Schatz

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Describing the function of ion channels poses a big challenged in biochemistry and biophysics. One approach to this problem is the application of Poisson-Nernst-Planck (PNP) theory. In practice, applying PNP theory involves creating a computational model of the ion channel and generating a numerical solution of differential equations that describes ion transport and electrostatic interactions. The PNP Cyclic Peptide Ion Channel Model is a simulation tool designed to offer an integrated approach to this important problem in bionanotechnology by demonstrating and explaining the application of PNP theory in a way that is accessible to students at an upper undergraduate level. The program interface was made using the free Rapid Application Infrastructure (Rappture) software, a graphical user interface designed specifically for Web-based applications, made available by the Network for Computational Nanotechnology (NCN). A free version of the PNP Cyclic Peptide Ion Channel Model for use in the simulation of ion transport properties for a model ion channel structure that has been the subject of recent experiments has been introduced.

Original languageEnglish
Pages (from-to)744-748
Number of pages5
JournalJournal of Chemical Education
Volume85
Issue number5
Publication statusPublished - May 2008

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Cyclic Peptides
nanotechnology
Ion Channels
Nanotechnology
simulation
biochemistry
Ions
Biophysics
user interface
Biochemistry
Graphical user interfaces
Coulomb interactions
Transport properties
infrastructure
Differential equations
experiment
Students
interaction
student
Experiments

ASJC Scopus subject areas

  • Chemistry(all)
  • Education

Cite this

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