Molecular Dynamics Simulation at High Sodium Chloride Concentration: Toward the Inactive Conformation of the Human Adenosine A2A Receptor

2010 ◽  
Vol 1 (6) ◽  
pp. 1008-1013 ◽  
Author(s):  
Balázs Jójárt ◽  
Róbert Kiss ◽  
Béla Viskolcz ◽  
István Kolossváry ◽  
György M. Keserű
Keyword(s):  
Molecular Dynamics ◽  
Sodium Chloride ◽  
Molecular Dynamics Simulation ◽  
Chloride Concentration ◽  
Dynamics Simulation ◽  
Sodium Chloride Concentration ◽  
Inactive Conformation ◽  
High Sodium ◽  
A2a Receptor ◽  
Adenosine A2a

scholarly journals Molecular dynamics simulation for thermophysical parameters of sodium chloride solids at high temperature and high pressure

2005 ◽  
Vol 54 (6) ◽  
pp. 2826
Author(s):  
Cui Shou-Xin ◽  
Cai Ling-Cang ◽  
Hu Hai-Quan ◽  
Guo Yong-Xin ◽  
Xiang Shi-Kai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
High Pressure ◽  
High Temperature ◽  
Sodium Chloride ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Thermophysical Parameters

scholarly journals Molecular Dynamics Simulation and Experimental Study on the Growth of Methane Hydrate in Presence of Methanol and Sodium Chloride

2017 ◽  
Vol 105 ◽  
pp. 5026-5033 ◽  
Author(s):  
Nilesh Choudhary ◽  
Omkar Singh Kushwaha ◽  
Gaurav Bhattacharjee ◽  
Suman Chakrabarty ◽  
Rajnish Kumar
Keyword(s):  
Molecular Dynamics ◽  
Experimental Study ◽  
Sodium Chloride ◽  
Molecular Dynamics Simulation ◽  
Methane Hydrate ◽  
Dynamics Simulation

MD Simulation of Crystal Growth from Sodium Chloride Melt

1995 ◽  
Vol 50 (2-3) ◽  
pp. 307-315 ◽  
Author(s):  
Isao Okada ◽  
Toshio Nakashima ◽  
Yukio Takahagi ◽  
Junko Habasaki
Keyword(s):  
Molecular Dynamics ◽  
Crystal Growth ◽  
Sodium Chloride ◽  
Molecular Dynamics Simulation ◽  
Growth Velocity ◽  
Md Simulation ◽  
Dynamics Simulation ◽  
Considerable Fraction ◽  
Supercooled Melt ◽  
Interface Layers

AbstractCrystal growth on the (100) and (110) faces of sodium chloride from supercooled melt has been studied by molecular dynamics simulation. The growth velocity was considerably higher for the (100) plane (90-100 m/s) than for the (110) plane (transiently 40-50 m/s). Consequently, even from the (110) face, the crystal seems to grow in the [100] direction. Under the present MD conditions, ca. 2 interface layers with a considerable fraction of defects was formed, which means that the surface advances normal to itself without needing steps.

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