scholarly journals Toward an Understanding of the Aqueous Solubility of Amino Acids in the Presence of Salts: A Molecular Dynamics Simulation Study

2010 ◽  
Vol 114 (49) ◽  
pp. 16450-16459 ◽  
Author(s):  
Luciana I. N. Tomé ◽  
Miguel Jorge ◽  
José R. B. Gomes ◽  
João A. P. Coutinho
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Aqueous Solubility ◽  
Dynamics Simulation

The influence of a type III antifreeze protein and its mutants on methane hydrate adsorption–inhibition: a molecular dynamics simulation study

2019 ◽  
Vol 21 (39) ◽  
pp. 21836-21846 ◽  
Author(s):  
Mitra Maddah ◽  
Mina Maddah ◽  
Kiana Peyvandi
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Simulation Study ◽  
Methane Hydrate ◽  
Hydrophobic Interactions ◽  
Dynamics Simulation ◽  
Antifreeze Activity ◽  
Adsorption Inhibition

Antifreeze proteins inhibit hydrate growth by hydrophobic interactions in cooperation with hydrogen bonds. Mutation of three polar amino acids (Asn14, Thr18, and Gln44) elucidates the molecular mechanism of AFP III antifreeze activity.

Importance of amino acids Leu135 and Tyr236 for the interaction between EhCFIm25 and RNA: a molecular dynamics simulation study

2018 ◽  
Vol 24 (8) ◽  
Author(s):  
Juan David Ospina-Villa ◽  
Juan García-Contreras ◽  
Jorge Luis Rosas-Trigueros ◽  
Esther Ramírez-Moreno ◽  
César López-Camarillo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation
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