Molecular-dynamics simulations of the transport properties of a single polymer chain in two dimensions

2006 ◽  
Vol 124 (8) ◽  
pp. 084904 ◽  
Author(s):  
Tapan G. Desai ◽  
Pawel Keblinski ◽  
Sanat K. Kumar ◽  
Steve Granick
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Polymer Chain ◽  
Two Dimensions ◽  
Single Polymer Chain ◽  
Dynamics Simulations

scholarly journals Universal properties of a single polymer chain in slit: Scaling versus molecular dynamics simulations

2008 ◽  
Vol 128 (23) ◽  
pp. 234902 ◽  
Author(s):  
D. I. Dimitrov ◽  
A. Milchev ◽  
Kurt Binder ◽  
Leonid I. Klushin ◽  
Alexander M. Skvortsov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Chain ◽  
Universal Properties ◽  
Single Polymer Chain ◽  
Dynamics Simulations

scholarly journals Molecular insights on poly(N-isopropylacrylamide) coil-to-globule transition induced by pressure

2021 ◽  
Vol 23 (10) ◽  
pp. 5984-5991
Author(s):  
Letizia Tavagnacco ◽  
Ester Chiessi ◽  
Emanuela Zaccarelli
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Chain ◽  
Linear Polymer ◽  
Dynamics Simulations ◽  
Linear Polymer Chain

By using extensive all-atom molecular dynamics simulations of an atactic linear polymer chain, we unveil the role of pressure in the coil-to-globule transition of poly(N-isopropylacrylamide) (PNIPAM).

The EcCLC antiporter embedded in the lipidic liquid crystalline films – molecular dynamics simulations and electrochemistry

2021 ◽  
Author(s):  
Przemysław Miszta ◽  
Ewa Nazaruk ◽  
Dorota Nieciecka ◽  
Mariusz Możajew ◽  
Pawel Krysinski ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Liquid Crystalline ◽  
Cubic Phases ◽  
Crystalline Films ◽  
Dynamics Simulations

Lipidic-liquid crystalline nanostructures (lipidic cubic phases), which are biomimetic and stable in excess of water, were used as a convenient environment to investigate the transport properties of the membrane antiporter...

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