pH-Dependent aggregation and pH-independent cell membrane adhesion of monolayer-protected mixed charged gold nanoparticles

Nanoscale ◽  
2019 ◽  
Vol 11 (15) ◽  
pp. 7371-7385 ◽  
Author(s):  
Zhiqiang Shen ◽  
William Baker ◽  
Huilin Ye ◽  
Ying Li
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Cell Membrane ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Coarse Grained ◽  
Ph Responsive ◽  
Ph Dependent ◽  
Membrane Adhesion ◽  
Dynamics Simulations

We systematically study the aggregation of pH-responsive AuNPs and their interactions with model lipid bilayers by using Martini coarse-grained molecular dynamics simulations.

Synergistic effects of magainin 2 and PGLa on their heterodimer formation, aggregation, and insertion into the bilayer

RSC Advances ◽  
2015 ◽  
Vol 5 (3) ◽  
pp. 2047-2055 ◽  
Author(s):  
Eol Han ◽  
Hwankyu Lee
Keyword(s):  
Molecular Dynamics ◽  
Antimicrobial Peptides ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Synergistic Effects ◽  
Coarse Grained ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

We performed coarse-grained molecular dynamics simulations of antimicrobial peptides PGLa and magainin 2 in lipid bilayers.

scholarly journals Chloroform alters interleaflet coupling in lipid bilayers: an entropic mechanism

2015 ◽  
Vol 12 (106) ◽  
pp. 20150197 ◽  
Author(s):  
Ramon Reigada ◽  
Francesc Sagués
Keyword(s):  
Molecular Dynamics ◽  
Cell Membrane ◽  
Lipid Bilayers ◽  
Coarse Grained ◽  
General Anaesthetic ◽  
Computational Studies ◽  
Polar Compound ◽  
Cell Processes ◽  
Dynamics Simulations ◽  
Anaesthetic Action

The interaction of the two leaflets of the plasmatic cell membrane is conjectured to play an important role in many cell processes. Experimental and computational studies have investigated the mechanisms that modulate the interaction between the two membrane leaflets. Here, by means of coarse-grained molecular dynamics simulations, we show that the addition of a small and polar compound such as chloroform alters interleaflet coupling by promoting domain registration. This is interpreted in terms of an entropic gain that would favour frequent chloroform commuting between the two leaflets. The implication of this effect is discussed in relation to the general anaesthetic action.

scholarly journals Interactions of neutral gold nanoparticles with DPPC and POPC lipid bilayers: simulation and experiment

RSC Advances ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 5197-5205
Author(s):  
Amin Reza Zolghadr ◽  
Sedigheh Saddat Moosavi
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Model System ◽  
System P ◽  
Simulation And Experiment ◽  
Dynamics Simulations

Molecular dynamics simulations of neutral gold nanoparticles (AuNPs) interacting with dipalmitoylphosphatidylcholine (DPPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) membranes were studied using a model system.

scholarly journals Peroxidised phospholipid bilayers: insight from coarse-grained molecular dynamics simulations

Soft Matter ◽  
2016 ◽  
Vol 12 (1) ◽  
pp. 263-271 ◽  
Author(s):  
Yachong Guo ◽  
Vladimir A. Baulin ◽  
Fabrice Thalmann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Phospholipid Bilayers ◽  
Coarse Grained ◽  
Coarse Grained Model ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

We introduce a coarse-grained model for hydroperoxide lipid bilayers.

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