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Updated: Jun 12, 2026

Mapping Molecular Diffusion in the Plasma Membrane by Multiple-Target Tracing (MTT)
Published on: May 27, 2012
Exploring transmembrane diffusion pathways with molecular dynamics
Yi Wang1, Saher A Shaikh, Emad Tajkhorshid
1Department of Biochemistry, Center for Biophysics and Computational Biology, and Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, USA.
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.
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