scholarly journals All-Atom Model of Atactic 2-Vinyl Pyridine Polymer: Structural Properties Investigation by Molecular Dynamics Simulations

2019 ◽  
Vol 166 (9) ◽  
pp. B3309-B3315 ◽  
Author(s):  
Stefano Caputo ◽  
Antonio De Nicola ◽  
Greta Donati ◽  
Alessio David ◽  
Guido Raos ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Atom Model ◽  
Vinyl Pyridine ◽  
Dynamics Simulations

Adaptive structure of gels and microgels with sliding cross-links: enhanced softness, stretchability and permeability

Soft Matter ◽  
2018 ◽  
Vol 14 (24) ◽  
pp. 5098-5105 ◽  
Author(s):  
Alexey A. Gavrilov ◽  
Igor I. Potemkin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Mechanical And Structural Properties ◽  
Adaptive Structure ◽  
Cross Links ◽  
Dynamics Simulations

We propose an experimentally-inspired model of gels and microgels with sliding cross-links, and use this model to study the mechanical and structural properties with molecular dynamics simulations.

scholarly journals A study of the structural properties and thermal stability of human Bcl-2 by molecular dynamics simulations

2013 ◽  
Vol 32 (11) ◽  
pp. 1707-1719 ◽  
Author(s):  
Ian Ilizaliturri-Flores ◽  
José Correa-Basurto ◽  
Claudia G. Benítez-Cardoza ◽  
Absalom Zamorano-Carrillo
Keyword(s):  
Molecular Dynamics ◽  
Thermal Stability ◽  
Molecular Dynamics Simulations ◽  
Structural Properties ◽  
Dynamics Simulations ◽  
Thermal Stability Of
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