Structure and ion-ion interactions in trifluoroacetate-based ionic liquids: Quantum chemical and molecular dynamics simulation studies

2021 ◽  
Vol 328 ◽  
pp. 115449
Author(s):  
I.V. Fedorova ◽  
M.A. Krestyaninov ◽  
L.P. Safonova
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Quantum Chemical ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Ion Interactions

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
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