Influence of the gallate moiety on the interactions between green tea polyphenols and lipid membranes elucidated by molecular dynamics simulations

2021 ◽  
pp. 106592
Author(s):  
Rong-zu Nie ◽  
Mei-zhu Dang ◽  
Zhen-zhen Ge ◽  
Yin-qiang Huo ◽  
Bo Yu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Green Tea ◽  
Lipid Membranes ◽  
Tea Polyphenols ◽  
Green Tea Polyphenols ◽  
Dynamics Simulations

scholarly journals Variable tilt on lipid membranes

2014 ◽  
Vol 470 (2172) ◽  
pp. 20140463 ◽  
Author(s):  
P. Rangamani ◽  
D. J. Steigmann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lipid Membranes ◽  
Continuum Theory ◽  
Linear Version ◽  
Dynamics Simulations ◽  
Membrane Shape ◽  
Planar Membranes

A continuum theory for lipid membranes is developed that accounts for mechanical interactions between lipid tilt and membrane shape. For planar membranes, a linear version of the theory is used to predict tilt variations similar to those observed in experiments and molecular dynamics simulations.

scholarly journals Molecular dynamics simulations of carbon nanotube porins in lipid bilayers

2018 ◽  
Vol 209 ◽  
pp. 341-358 ◽  
Author(s):  
Martin Vögele ◽  
Jürgen Köfinger ◽  
Gerhard Hummer
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Lipid Membranes ◽  
Dynamics Simulations

Carbon nanotube porins embedded in lipid membranes are studied by molecular dynamics simulations.

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