Related Experiment Video
Updated: Feb 13, 2026

Assembly of Cell Mimicking Supported and Suspended Lipid Bilayer Models for the Study of Molecular Interactions
Published on: August 3, 2021
Molecular Dynamics Modeling of Methylene Blue-DOPC Lipid Bilayer Interactions
Nazar Ileri Ercan1,2,3, Pieter Stroeve1, Joseph W Tringe2
1Department of Chemical Engineering , University of California Davis , One Shields Avenue , Davis , California 95616 , United States.
Abstract:
We present a coarse-grained MARTINI model for methylene blue (MB) and investigate the interactions of MB with dioleylphosphatidylcholine (DOPC) lipid bilayers by molecular dynamics simulations. Our results show that the charge state of MB and the oxidation degree of the DOPC bilayer play critical roles on membrane properties. Oxidation of the DOPC bilayer significantly increases permeability of water and MB molecules, irrespective of the charge state of MB. The most significant changes in membrane properties are obtained for peroxidized lipid bilayers in the presence of cationic MB, with ∼11% increase in the membrane area per lipid head group and ∼7 and 44% reduction in membrane thickness and lateral diffusivity, respectively.
Related Concept Videos
Assembly of the Lipid Bilayer in the ER
A large chunk of any biological membrane is composed of phospholipids. These lipids have a heterogeneous distribution across different subcellular organelles and even between...
Asymmetric Lipid Bilayer
Molecular Models
What are Lipids?
Lipid Digestion
Structure of Lipids

