The hypothetical signature of self aggregation in the low frequency response of aqueous solutions: A molecular dynamics simulation analysis

2007 ◽  
Vol 134 (1-3) ◽  
pp. 23-28 ◽  
Author(s):  
A. Idrissi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Frequency Response ◽  
Simulation Analysis ◽  
Low Frequency ◽  
Dynamics Simulation ◽  
Self Aggregation

Molecular Dynamics Simulation of the Aggregation Patterns in Aqueous Solutions of Bile Salts at Physiological Conditions

2015 ◽  
Vol 119 (51) ◽  
pp. 15631-15643 ◽  
Author(s):  
Fatmegyul Mustan ◽  
Anela Ivanova ◽  
Galia Madjarova ◽  
Slavka Tcholakova ◽  
Nikolai Denkov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Bile Salts ◽  
Dynamics Simulation ◽  
Physiological Conditions

Molecular dynamics simulation analysis of conessine against multi drug resistant Serratia marcescens

2019 ◽  
Vol 67 ◽  
pp. 101-111
Author(s):  
Kalyani Dhusia ◽  
Kalpana Raja ◽  
Pierre Paul Michel Thomas ◽  
Pramod K. Yadav ◽  
Pramod W. Ramteke
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Serratia Marcescens ◽  
Simulation Analysis ◽  
Dynamics Simulation ◽  
Drug Resistant

Structures of Cationic and Anionic Polyelectrolytes in Aqueous Solutions: The Sign Effect

Soft Matter ◽  
2022 ◽  
Author(s):  
Chengjiang Lin ◽  
Hao Wei ◽  
Hongfei Li ◽  
Xiaozheng Duan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Dynamics Simulation ◽  
Solvation Effects ◽  
Cationic Polyelectrolytes ◽  
Sign Effect

In this study, we use molecular dynamics simulation to explore the structures of anionic and cationic polyelectrolytes in aqueous solutions. We first confirm the significantly stronger solvation effects of single...

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