Modeling and simulation of ion channels

Christopher Maffeo, Swati Bhattacharya, Jejoong Yoo, David Wells, Aleksei Aksimentiev

Research output: Contribution to journalReview articlepeer-review


A study was conducted to demonstrate modeling and simulation of ion channels. Early phenomenological models of excitable membranes were discussed and the latest developments in this area were reviewed. Early work on phenomenological modeling of ion channels occurred before the existence of ion channels had been established. Researchers were making efforts to understand the mechanism of signal propagation in nerve cells. Early models described the axon as a 'cable', with a conductive core surrounded by a less conductive, capacitive sheath, which was later identified as a membrane in the Hodgkin-Huxley (HH) model. The HH model played a key role in understanding of nerve cells, and excitable membranes, while continuing to influence research work in the field. A team of researchers also demonstrated that millisecond all-atom molecular dynamic (MD) simulation of ion channels was performed by using Anton, a special-purpose hardware designed only for such MD simulations.

Original languageEnglish (US)
Pages (from-to)6250-6284
Number of pages35
JournalChemical reviews
Issue number12
StatePublished - Dec 12 2012

ASJC Scopus subject areas

  • General Chemistry


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