Exploring transmembrane diffusion pathways with molecular dynamics

Yi Wang, Saher A. Shaikh, Emad Tajkhorshid

Research output: Contribution to journalReview articlepeer-review


Transmembrane exchange of materials is a fundamental process in biology. Molecular dynamics provides a powerful method to investigate in great detail various aspects of the phenomenon, particularly the permeation of small uncharged molecules, which continues to pose a challenge to experimental studies. We will discuss some of the recent simulation studies investigating the role of lipid-mediated and protein-mediated mechanisms in permeation of water and gas molecules across the membrane.

Original languageEnglish (US)
Pages (from-to)142-154
Number of pages13
Issue number3
StatePublished - Jun 2010

ASJC Scopus subject areas

  • Physiology


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