scholarly journals Molecular dynamics simulations of the effects of lipid oxidation on the permeability of cell membranes

2021 ◽  
pp. 107869
Author(s):  
Daniel Wiczew ◽  
Natalia Szulc ◽  
Mounir Tarek
Keyword(s):  
Molecular Dynamics ◽  
Lipid Oxidation ◽  
Molecular Dynamics Simulations ◽  
Cell Membranes ◽  
Dynamics Simulations

Transport of nanoparticles across pulmonary surfactant monolayer: a molecular dynamics study

2017 ◽  
Vol 19 (27) ◽  
pp. 17568-17576 ◽  
Author(s):  
Yan Xu ◽  
Li Deng ◽  
Hao Ren ◽  
Xianren Zhang ◽  
Fang Huang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Target Cell ◽  
Pulmonary Surfactant ◽  
Cell Membranes ◽  
Dynamics Simulations

Three types of nanoparticles, including hydrophobic nanoparticles, hydrophilic nanoparticles, and hydrophilic nanoparticles coated with lipids, were found by our molecular dynamics simulations to be transported across the pulmonary surfactant monolayer, but via different pathways, which affect their subsequent interactions with target cell membranes.

scholarly journals From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations

2016 ◽  
Vol 18 (26) ◽  
pp. 17731-17739 ◽  
Author(s):  
Mosé Casalegno ◽  
Guido Raos ◽  
Guido Sello
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Membranes ◽  
Cell Membranes ◽  
Atomistic Simulations ◽  
Dynamics Simulations ◽  
Hydrophobic Aggregation

Molecular dynamics simulations indicate that dioxin likely accumulates in cell membranes more than its congeners (anthracene, tetrahydrodioxin, 3,3′,5,5′-tetrachlorobiphenyl, and 1,2-dihydroxytetrahydrodibenzo-p-dioxin).

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