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.

Original languageEnglish (US)
Title of host publication2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002
EditorsM. Laudon, B. Romanowicz
Pages60-63
Number of pages4
StatePublished - Dec 1 2002
Event2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002 - San Juan, Puerto Rico
Duration: Apr 21 2002Apr 25 2002

Publication series

Name2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002

Other

Other2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002
Country/TerritoryPuerto Rico
CitySan Juan
Period4/21/024/25/02

Keywords

  • Computational electronics
  • Electrodiffusion
  • Electrostatics
  • Ion channels
  • Molecular dynamics

ASJC Scopus subject areas

  • Engineering(all)

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