Exploring transmembrane diffusion pathways with molecular dynamics

Yi Wang, Saher A. Shaikh, Emad Tajkhorshid

Research output: Contribution to journalReview article

Abstract

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
JournalPhysiology
Volume25
Issue number3
DOIs
StatePublished - Jun 2010

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Molecular Dynamics Simulation
Gases
Lipids
Membranes
Water
Proteins

ASJC Scopus subject areas

  • Physiology

Cite this

Exploring transmembrane diffusion pathways with molecular dynamics. / Wang, Yi; Shaikh, Saher A.; Tajkhorshid, Emad.

In: Physiology, Vol. 25, No. 3, 06.2010, p. 142-154.

Research output: Contribution to journalReview article

Wang, Yi ; Shaikh, Saher A. ; Tajkhorshid, Emad. / Exploring transmembrane diffusion pathways with molecular dynamics. In: Physiology. 2010 ; Vol. 25, No. 3. pp. 142-154.
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