Investigating the effect of 1-Butyl-3-methylimidazolium bromide and 1-Butyl-3-methylimidazolium methyl sulfate ionic liquids on structure and function of Chloroproxidase by molecular dynamics simulation

2021 ◽  
pp. 115850
Author(s):  
S. Maryam Ghorbani ◽  
Mohammad Reza Housaindokht ◽  
Mohammad Reza Bozorgmehr
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Structure And Function ◽  
Dynamics Simulation ◽  
Methyl Sulfate ◽  
And Function

scholarly journals Human skin barrier structure and function analyzed by cryo-EM and molecular dynamics simulation

2018 ◽  
Vol 203 (2) ◽  
pp. 149-161 ◽  
Author(s):  
Magnus Lundborg ◽  
Ali Narangifard ◽  
Christian L. Wennberg ◽  
Erik Lindahl ◽  
Bertil Daneholt ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Human Skin ◽  
Skin Barrier ◽  
Structure And Function ◽  
Dynamics Simulation ◽  
Barrier Structure ◽  
And Function

Molecular Dynamics Simulation of Highly Confined Glassy Ionic Liquids

2016 ◽  
Vol 120 (2) ◽  
pp. 1013-1024 ◽  
Author(s):  
Georgios Kritikos ◽  
Niki Vergadou ◽  
Ioannis G. Economou
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation

Molecular dynamics simulation of geminal dicationic ionic liquids [Cn(mim)2][NTf2]2 – structural and dynamical properties

2018 ◽  
Vol 20 (1) ◽  
pp. 435-448 ◽  
Author(s):  
Majid Moosavi ◽  
Fatemeh Khashei ◽  
Elaheh Sedghamiz
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Liquid Phase ◽  
Molecular Basis ◽  
Dynamics Simulation ◽  
Bulk Liquid ◽  
Fundamental Understanding ◽  
Dicationic Ionic Liquids ◽  
Dynamical Properties

The structural and dynamical properties of two dicationic ionic liquids, i.e. [Cn(mim)2][NTf2]2 with n = 3 and 5, have been studied to obtain a fundamental understanding of the molecular basis of the macroscopic and microscopic properties of the bulk liquid phase.

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