Effects of Urea, Tetramethyl Urea, and TrimethylamineN-Oxide on Aqueous Solution Structure and Solvation of Protein Backbones: A Molecular Dynamics Simulation Study

2010 ◽  
Vol 114 (1) ◽  
pp. 557-568 ◽  
Author(s):  
Haiyan Wei ◽  
Yubo Fan ◽  
Yi Qin Gao
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Solution Structure ◽  
Dynamics Simulation ◽  
Protein Backbones

scholarly journals Influence on ferric chloride aqueous solution caused by external electrostatic field: a molecular dynamics simulation study

RSC Advances ◽  
2018 ◽  
Vol 8 (68) ◽  
pp. 38706-38714 ◽  
Author(s):  
Shi Zhibo ◽  
Li Liyi ◽  
Han Yong ◽  
Bai Jie
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulation ◽  
Ferric Chloride ◽  
Electrostatic Field ◽  
Simulation Study ◽  
Dynamic Properties ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Electrostatic Fields

A detailed analysis of structural properties and dynamic properties of ferric chloride aqueous solution under external electrostatic fields with different intensities was performed by molecular dynamics (MD) simulations.

The role of hydrogen bonds in an aqueous solution of acetylsalicylic acid: a molecular dynamics simulation study

2010 ◽  
Vol 17 (10) ◽  
pp. 2485-2490 ◽  
Author(s):  
Maria Cristina Donnamaria ◽  
Juan Roberto de Xammar Oro
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Acetylsalicylic Acid ◽  
Simulation Study ◽  
Dynamics Simulation

Molecular Dynamics Simulation Study of the Association of Lidocainium Docusate and Its Derivatives in Aqueous Solution

2015 ◽  
Vol 12 (6) ◽  
pp. 1893-1901 ◽  
Author(s):  
David J. Smith ◽  
Jindal K. Shah ◽  
Edward J. Maginn
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation
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