scholarly journals Free energy landscape and folding mechanism of a β-hairpin in explicit water: A replica exchange molecular dynamics study

2005 ◽  
Vol 61 (4) ◽  
pp. 795-808 ◽  
Author(s):  
Phuong H. Nguyen ◽  
Gerhard Stock ◽  
Emil Mittag ◽  
Chin-Kun Hu ◽  
Mai Suan Li
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Energy Landscape ◽  
Replica Exchange ◽  
Free Energy Landscape ◽  
Replica Exchange Molecular Dynamics ◽  
Folding Mechanism ◽  
Explicit Water

Free Energy Landscape of a DNA−Carbon Nanotube Hybrid Using Replica Exchange Molecular Dynamics

Nano Letters ◽  
2009 ◽  
Vol 9 (2) ◽  
pp. 537-541 ◽  
Author(s):  
Robert R. Johnson ◽  
Axel Kohlmeyer ◽  
A. T. Charlie Johnson ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Carbon Nanotube ◽  
Energy Landscape ◽  
Replica Exchange ◽  
Free Energy Landscape ◽  
Replica Exchange Molecular Dynamics
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