scholarly journals Molecular Dynamics Simulations of the Permeation of Bisphenol A and Pore Formation in a Lipid Membrane

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Liang Chen ◽  
Junlang Chen ◽  
Guoquan Zhou ◽  
Yu Wang ◽  
Can Xu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Bisphenol A ◽  
Molecular Dynamics Simulations ◽  
Pore Formation ◽  
Lipid Membrane ◽  
Dynamics Simulations

Interaction of fullerene chains and a lipid membrane via computer simulations

RSC Advances ◽  
2014 ◽  
Vol 4 (57) ◽  
pp. 30215-30220 ◽  
Author(s):  
Wen-de Tian ◽  
Kang Chen ◽  
Yu-qiang Ma
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Computer Simulations ◽  
Membrane Structure ◽  
Lipid Membrane ◽  
Coarse Grained ◽  
Structure Dynamics ◽  
Dynamics Simulations ◽  
Fullerene Polymers ◽  
Coarse Grained Molecular Dynamics

Coarse-grained molecular dynamics simulations were employed to study the fullerene polymers with various functionalization degrees interacting with the DPPC membrane. Structure, dynamics, and thermodynamics of systems were analyzed.

scholarly journals Molecular dynamics simulations of the adsorption of bisphenol A on graphene oxide

2016 ◽  
Vol 65 (13) ◽  
pp. 133102
Author(s):  
Lin Wen-Qiang ◽  
Xu Bin ◽  
Chen Liang ◽  
Zhou Feng ◽  
Chen Jun-Lang
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Bisphenol A ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Size-dependent formation of membrane nanotubes: continuum modeling and molecular dynamics simulations

2018 ◽  
Vol 20 (5) ◽  
pp. 3474-3483 ◽  
Author(s):  
Falin Tian ◽  
Tongtao Yue ◽  
Wei Dong ◽  
Xin Yi ◽  
Xianren Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Membrane ◽  
Continuum Theory ◽  
Mechanical Behaviors ◽  
Continuum Modeling ◽  
Membrane Nanotubes ◽  
Size Dependent ◽  
Structural Lipid ◽  
Dynamics Simulations

With continuum theory and molecular dynamics simulations we demonstrated that the lipid membrane upon extraction exhibits size- and tension-dependent mechanical behaviors, and different structural lipid rearrangements in different leaflets.

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