Interaction of menthol with mixed-lipid bilayer of stratum corneum: A coarse-grained simulation study

2015 ◽  
Vol 60 ◽  
pp. 98-107 ◽  
Author(s):  
Guang Wan ◽  
Xingxing Dai ◽  
Qianqian Yin ◽  
Xinyuan Shi ◽  
Yanjiang Qiao
Keyword(s):  
Stratum Corneum ◽  
Lipid Bilayer ◽  
Simulation Study ◽  
Coarse Grained

Interaction of Monotopic Membrane Enzymes with a Lipid Bilayer: A Coarse-Grained MD Simulation Study†

Biochemistry ◽  
2009 ◽  
Vol 48 (10) ◽  
pp. 2135-2145 ◽  
Author(s):  
Kia Balali-Mood ◽  
Peter J. Bond ◽  
Mark S. P. Sansom
Keyword(s):  
Lipid Bilayer ◽  
Simulation Study ◽  
Md Simulation ◽  
Coarse Grained ◽  
Membrane Enzymes

Sliding Dynamics of Ring on Polymer in Rotaxane: A Coarse-Grained Molecular Dynamics Simulation Study

2019 ◽  
Vol 52 (10) ◽  
pp. 3787-3793 ◽  
Author(s):  
Yusuke Yasuda ◽  
Masatoshi Toda ◽  
Koichi Mayumi ◽  
Hideaki Yokoyama ◽  
Hiroshi Morita ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Sliding Dynamics ◽  
Coarse Grained Molecular Dynamics

Effect of oligonucleic acid (ONA) backbone features on assembly of ONA–star polymer conjugates: a coarse-grained molecular simulation study

Soft Matter ◽  
2017 ◽  
Vol 13 (38) ◽  
pp. 6770-6783 ◽  
Author(s):  
Joshua E. Condon ◽  
Arthi Jayaraman
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Coarse Grained ◽  
Star Polymer ◽  
Backbone Flexibility ◽  
Polymer Architecture ◽  
Polymer Conjugates ◽  
Coarse Grained Simulations

Using coarse-grained simulations, we study the effect of varying oligonucleic acid (ONA) backbone flexibility, ONA charge and star polymer architecture on structure and thermodynamics of ONA–star polymer conjugates assembly.

scholarly journals Formation mechanism of bound rubber in elastomer nanocomposites: a molecular dynamics simulation study

RSC Advances ◽  
2018 ◽  
Vol 8 (23) ◽  
pp. 13008-13017 ◽  
Author(s):  
Jun Liu ◽  
Haixiao Wan ◽  
Huanhuan Zhou ◽  
Yancong Feng ◽  
Liqun Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Formation Mechanism ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Bound Rubber ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

The formation mechanism of the bound rubber in elastomer nanocomposites using the coarse-grained molecular-dynamics simulations.

The structure of polymer brushes near the transition from dilute to dense systems. A computer simulation study

Soft Matter ◽  
2021 ◽  
Author(s):  
Piotr Polanowski ◽  
Andrzej Sikorski
Keyword(s):  
Computer Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Simulation Study ◽  
Polymer Brushes ◽  
Polymer Brush ◽  
Coarse Grained ◽  
Computer Simulation Study ◽  
Coarse Grained Model ◽  
Cooperative Motion

Monodisperse polymer brushes were studied by means of Monte Carlo simulations. A coarse-grained model of a polymer brush was designed in order and the Cooperative Motion Algorithm was employed to...

Extension of the UNRES Coarse-Grained Force Field to Membrane Proteins in the Lipid Bilayer

2019 ◽  
Vol 123 (37) ◽  
pp. 7829-7839
Author(s):  
Karolina Ziȩba ◽  
Magdalena Ślusarz ◽  
Rafał Ślusarz ◽  
Adam Liwo ◽  
Cezary Czaplewski ◽  
...  
Keyword(s):  
Membrane Proteins ◽  
Force Field ◽  
Lipid Bilayer ◽  
Coarse Grained

Coadsorption of Counterionic Colloids at Fluid Interfaces: A Coarse-Grained Simulation Study of Gibbs Monolayers

Langmuir ◽  
2020 ◽  
Vol 36 (11) ◽  
pp. 2877-2885
Author(s):  
Alejandro Cuetos ◽  
Neftali Morillo ◽  
Bruno Martı́nez−Haya
Keyword(s):  
Simulation Study ◽  
Coarse Grained ◽  
Fluid Interfaces
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