Molecular Dynamics Simulations of Polyampholyte−Polyelectrolyte Complexes in Solutions

2005 ◽  
Vol 38 (12) ◽  
pp. 5300-5312 ◽  
Author(s):  
Junhwan Jeon ◽  
Andrey V. Dobrynin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polyelectrolyte Complexes ◽  
Dynamics Simulations

Protein-polyelectrolyte complexes: Molecular dynamics simulations and experimental study

Polymer ◽  
2017 ◽  
Vol 113 ◽  
pp. 39-45 ◽  
Author(s):  
Alina A. Sofronova ◽  
Diana B. Evstafyeva ◽  
Vladimir A. Izumrudov ◽  
Vladimir I. Muronetz ◽  
Pavel I. Semenyuk
Keyword(s):  
Molecular Dynamics ◽  
Experimental Study ◽  
Molecular Dynamics Simulations ◽  
Polyelectrolyte Complexes ◽  
Dynamics Simulations

scholarly journals Comparing water-mediated hydrogen-bonding in different polyelectrolyte complexes

Soft Matter ◽  
2019 ◽  
Vol 15 (39) ◽  
pp. 7823-7831 ◽  
Author(s):  
Piotr Batys ◽  
Samu Kivistö ◽  
Suvesh Manoj Lalwani ◽  
Jodie L. Lutkenhaus ◽  
Maria Sammalkorpi
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bonding ◽  
Molecular Dynamics Simulations ◽  
Water Diffusion ◽  
Polyelectrolyte Complexes ◽  
Dynamics Simulations ◽  
Influence Of Hydration ◽  
Specific Influence

All-atom molecular dynamics simulations are used to investigate the polyelectrolyte-specific influence of hydration and temperature on water diffusion in hydrated polyelectrolyte complexes (PECs).

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