Concentration and Temperature Dependences of Polyglutamine Aggregation by Multiscale Coarse-Graining Molecular Dynamics Simulations

2012 ◽  
Vol 116 (34) ◽  
pp. 10135-10144 ◽  
Author(s):  
Li Deng ◽  
Yanting Wang ◽  
Zhong-can Ou-yang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Coarse Graining ◽  
Temperature Dependences ◽  
Dynamics Simulations ◽  
Polyglutamine Aggregation

The Possible Structural Models for Polyglutamine Aggregation: A Molecular Dynamics Simulations Study

2011 ◽  
Vol 28 (5) ◽  
pp. 743-758 ◽  
Author(s):  
Zheng-Li Zhou ◽  
Jian-Hua Zhao ◽  
Hsuan-Liang Liu ◽  
Josephine W. Wu ◽  
Kung-Tien Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structural Models ◽  
Dynamics Simulations ◽  
Polyglutamine Aggregation

A test of systematic coarse-graining of molecular dynamics simulations: Transport properties

2013 ◽  
Vol 139 (9) ◽  
pp. 094107 ◽  
Author(s):  
Chia-Chun Fu ◽  
Pandurang M. Kulkarni ◽  
M. Scott Shell ◽  
L. Gary Leal
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Coarse Graining ◽  
Dynamics Simulations
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