Structural and Dynamic Properties of the CAGQW Peptide in Water:  A Molecular Dynamics Simulation Study Using Different Force Fields

2004 ◽  
Vol 108 (48) ◽  
pp. 18734-18742 ◽  
Author(s):  
D. Roccatano ◽  
W. M. Nau ◽  
M. Zacharias
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Force Fields ◽  
Dynamic Properties ◽  
Dynamics Simulation

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.

Structure and dynamics of ions in dipolar solvent: A coarse-grained simulation study

Soft Matter ◽  
2021 ◽  
Author(s):  
Jicai Liang ◽  
Hao Wei ◽  
Kaifeng Yu ◽  
Chengjiang Lin ◽  
Hongfei Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Electric Field ◽  
Simulation Study ◽  
Dynamic Properties ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Ionic Solution ◽  
Structure And Dynamics ◽  
Coarse Grained Molecular Dynamics

We employ the coarse-grained molecular dynamics simulation to investigate the fundamental structural and dynamic properties of the ionic solution with and without the application of the electric field. Our simulations,...

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