scholarly journals Molecular dynamics simulations of single-component bottle-brush polymers with flexible backbones under poor solvent conditions

2013 ◽  
Vol 25 (28) ◽  
pp. 285105 ◽  
Author(s):  
Nikolaos G Fytas ◽  
Panagiotis E Theodorakis
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Single Component ◽  
Bottle Brush ◽  
Dynamics Simulations ◽  
Poor Solvent ◽  
Brush Polymers

Friction between Brush Layers of Charged and Neutral Bottle-Brush Macromolecules. Molecular Dynamics Simulations

Langmuir ◽  
2011 ◽  
Vol 27 (23) ◽  
pp. 14599-14608 ◽  
Author(s):  
Jan-Michael Y. Carrillo ◽  
Daniel Russano ◽  
Andrey V. Dobrynin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Bottle Brush ◽  
Dynamics Simulations

Interaction between Brush Layers of Bottle-Brush Polyelectrolytes: Molecular Dynamics Simulations

Langmuir ◽  
2011 ◽  
Vol 27 (17) ◽  
pp. 11044-11051 ◽  
Author(s):  
Daniel Russano ◽  
Jan-Michael Y. Carrillo ◽  
Andrey V. Dobrynin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Bottle Brush ◽  
Dynamics Simulations

Vesicle deformation and division induced by flip-flop of lipid molecules

Soft Matter ◽  
2021 ◽  
Author(s):  
Naohito Urakami ◽  
Yuka Sakuma ◽  
Toshikaze Chiba ◽  
Masayuki Imai
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Single Component ◽  
Coarse Grained ◽  
Spontaneous Curvature ◽  
Unilamellar Vesicles ◽  
Flip Flop ◽  
Small Unilamellar Vesicles ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

We investigated the deformation of small unilamellar vesicles (SUVs) induced by flip-flops of lipids using coarse-grained molecular dynamics simulations. In case of single-component SUVs composed of zero spontaneous curvature lipids...

Studying the structure of single-component ceramide bilayers with molecular dynamics simulations using different force fields

2014 ◽  
Vol 41 (13) ◽  
pp. 1122-1136 ◽  
Author(s):  
Nikolaos I. Papadimitriou ◽  
Michael E. Kainourgiakis ◽  
Stylianos N. Karozis ◽  
Georgia Ch. Charalambopoulou
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Force Fields ◽  
Single Component ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Grafted Layers of Bottle-Brush Polyelectrolytes

Langmuir ◽  
2010 ◽  
Vol 26 (23) ◽  
pp. 18374-18381 ◽  
Author(s):  
Jan-Michael Y. Carrillo ◽  
Andrey V. Dobrynin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Bottle Brush ◽  
Dynamics Simulations

Molecular dynamics simulations of a polyelectrolyte star in poor solvent

Soft Matter ◽  
2010 ◽  
Vol 6 (9) ◽  
pp. 1872 ◽  
Author(s):  
Peter Košovan ◽  
Jitka Kuldová ◽  
Zuzana Limpouchová ◽  
Karel Procházka ◽  
Ekaterina B. Zhulina ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Poor Solvent

scholarly journals Aging phenomena during phase separation in fluids: decay of autocorrelation for vapor–liquid transitions

Soft Matter ◽  
2019 ◽  
Vol 15 (23) ◽  
pp. 4743-4750 ◽  
Author(s):  
Sutapa Roy ◽  
Arabinda Bera ◽  
Suman Majumder ◽  
Subir K. Das
Keyword(s):  
Molecular Dynamics ◽  
Phase Separation ◽  
Molecular Dynamics Simulations ◽  
Single Component ◽  
Relaxation Phenomena ◽  
Lennard Jones ◽  
System P ◽  
Dynamics Simulations ◽  
Aging Phenomena ◽  
Vapor Liquid

We performed molecular dynamics simulations to study relaxation phenomena during vapor–liquid transitions in a single component Lennard-Jones system.

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