A Flexible All-Atom Model of Dimethyl Sulfoxide for Molecular Dynamics Simulations

2002 ◽  
Vol 106 (6) ◽  
pp. 1074-1080 ◽  
Author(s):  
Matthew L. Strader ◽  
Scott E. Feller
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dimethyl Sulfoxide ◽  
Atom Model ◽  
Dynamics Simulations

Solvation of cholesterol in different solvents: a molecular dynamics simulation study

2020 ◽  
Vol 22 (3) ◽  
pp. 1154-1167 ◽  
Author(s):  
Khair Bux ◽  
Syed Tarique Moin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dimethyl Sulfoxide ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Dynamical Properties ◽  
Dynamics Simulations

Molecular dynamics simulations were applied to an isolated cholesterol immersed in four different solvents of varying polarity, such as water, methanol, dimethyl sulfoxide and benzene, to gain insights into the structural and dynamical properties.

An improved dimethyl sulfoxide force field for molecular dynamics simulations

2003 ◽  
Vol 374 (3-4) ◽  
pp. 201-205 ◽  
Author(s):  
Patrice Bordat ◽  
Javier Sacristan ◽  
Dirk Reith ◽  
Séverine Girard ◽  
Alice Glättli ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Dimethyl Sulfoxide ◽  
Dynamics Simulations

scholarly journals Mechanism responsible for intercalation of dimethyl sulfoxide in kaolinite: Molecular dynamics simulations

2018 ◽  
Vol 151 ◽  
pp. 46-53 ◽  
Author(s):  
Shuai Zhang ◽  
Qinfu Liu ◽  
Hongfei Cheng ◽  
Feng Gao ◽  
Cun Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dimethyl Sulfoxide ◽  
Dynamics Simulations
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