Effect of Hydrogen Bonds on Structures and Glass Transition Temperatures of Maleimide-Isobutene Alternating Copolymers: Molecular Dynamics Simulation Study

2013 ◽  
Vol 22 (2) ◽  
pp. 107-114 ◽  
Author(s):  
Qian-Hao Zhou ◽  
Ming Li ◽  
Po Yang ◽  
Yi Gu
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Transition Temperatures ◽  
Glass Transition Temperatures ◽  
Alternating Copolymers

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.

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