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.

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.

Coarse-grained molecular dynamics simulations of α-1,3-glucan

Soft Matter ◽  
2019 ◽  
Vol 15 (23) ◽  
pp. 4669-4681 ◽  
Author(s):  
Daniel J. Beltran-Villegas ◽  
Daniel Intriago ◽  
Kyle H. C. Kim ◽  
Natnael Behabtu ◽  
J. David Londono ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bonding ◽  
Molecular Dynamics Simulations ◽  
Coarse Grained ◽  
Coarse Grained Model ◽  
Monomer Structure ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

In this work we present a coarse-grained model for α-1,3-glucan that captures hydrogen bonding directionality and polysaccharide monomer structure.

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