Capturing the Molecular Mechanism of Anesthetic Action by Simulation Methods

Victoria Oakes, Carmen Domene

Research output: Contribution to journalReview articlepeer-review

12 Citations (SciVal)
112 Downloads (Pure)


Significant computational efforts have been focused toward exposing the molecular mechanisms of anesthesia in recent years. In the past decade, this has been aided considerably by a momentous increase in the number of high-resolution structures of ion channels, which are putative targets for the anesthetic agents, as well as advancements in high-performance computing technologies. In this review, typical simulation methods to investigate the behavior of model membranes and membrane-protein systems are briefly reviewed, and related computational studies are surveyed. Both lipid- and protein-mediated mechanisms of anesthetic action are scrutinized, focusing on the behavior of ion channels in the latter case.

Original languageEnglish
Pages (from-to)5998-6014
Number of pages17
JournalChemical Reviews
Issue number9
Early online date25 Oct 2018
Publication statusPublished - 8 May 2019

ASJC Scopus subject areas

  • Chemistry(all)


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