scholarly journals Molecular Dynamics Simulation Studies of the Interactions between Ionic Liquids and Amino Acids in Aqueous Solution

2012 ◽  
Vol 116 (6) ◽  
pp. 1831-1842 ◽  
Author(s):  
Luciana I. N. Tomé ◽  
Miguel Jorge ◽  
José R. B. Gomes ◽  
João A. P. Coutinho
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Amino Acids ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Studies

Excess electron reactivity in amino acid aqueous solution revealed by ab initio molecular dynamics simulation: anion-centered localization and anion-relayed electron transfer dissociation

2015 ◽  
Vol 17 (40) ◽  
pp. 26854-26863 ◽  
Author(s):  
Xiuxiu Wu ◽  
Liang Gao ◽  
Jinxiang Liu ◽  
Hongfang Yang ◽  
Shoushan Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Amino Acids ◽  
Electron Transfer ◽  
Molecular Dynamics Simulation ◽  
Electron Transfer Dissociation ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Secondary Electrons ◽  
Acid Aqueous Solution

Radiation-generated secondary electrons can interact with glycine or the backbone parts of amino acids in different modes in aqueous solution.

Structural stability of insulin aspart in aqueous cholinium aminoate ionic liquids based on molecular dynamics simulation studies

2020 ◽  
pp. 114501
Author(s):  
Vidya Sundaram ◽  
Ramakrishnan Nagasundara Ramanan ◽  
Manikandan Selvaraj ◽  
R. Vijayaraghavan ◽  
Douglas R. MacFarlane ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Structural Stability ◽  
Insulin Aspart ◽  
Dynamics Simulation ◽  
Simulation Studies

Molecular dynamics simulation studies of the influence of imidazolium structure on the properties of imidazolium/azide ionic liquids

2012 ◽  
Vol 136 (19) ◽  
pp. 194506 ◽  
Author(s):  
Justin B. Hooper ◽  
Oleg N. Starovoytov ◽  
Oleg Borodin ◽  
Dmitry Bedrov ◽  
Grant D. Smith
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Studies
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