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.

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.

Unraveling cGAS catalytic mechanism upon DNA activation through molecular dynamics simulations

2021 ◽  
Author(s):  
Jordi Soler ◽  
Pedro Paiva ◽  
Maria Joao Joao Ramos ◽  
Pedro Alexandrino Fernandes ◽  
Marie Brut
Keyword(s):  
Molecular Dynamics ◽  
Dna Binding ◽  
Molecular Dynamics Simulations ◽  
Cyclic Gmp ◽  
Catalytic Mechanism ◽  
System P ◽  
Dynamics Simulations ◽  
Cyclic Dinucleotide

Cyclic GMP-AMP Synthase (cGAS) is activated upon DNA binding and catalyzes the synthesis of 2’,3’-cGAMP from GTP and ATP. This cyclic dinucleotide is a messenger that triggers the autoimmune system...

Molecular dynamics simulations of rupture in lipid bilayers

2010 ◽  
Vol 235 (2) ◽  
pp. 181-188 ◽  
Author(s):  
Michael D Tomasini ◽  
Carlos Rinaldi ◽  
M Silvina Tomassone
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Dynamics Simulations

Thermal boundary conductance between Al films and GaN nanowires investigated with molecular dynamics

2014 ◽  
Vol 16 (20) ◽  
pp. 9403-9410 ◽  
Author(s):  
Xiao-wang Zhou ◽  
Reese E. Jones ◽  
Patrick E. Hopkins ◽  
Thomas E. Beechem
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Thermal Transport ◽  
Thermal Boundary Conductance ◽  
Gan Nanowires ◽  
System P ◽  
Dynamics Simulations ◽  
Important System

Using molecular dynamics simulations, we studied the thermal boundary conductance between GaN nanowires and Al films and showed how it may be possible to enhance interfacial thermal transport in this important system.

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