scholarly journals Large Scale Characterization of the LC13 TCR and HLA-B8 Structural Landscape in Reaction to 172 Altered Peptide Ligands: A Molecular Dynamics Simulation Study

2014 ◽  
Vol 10 (8) ◽  
pp. e1003748 ◽  
Author(s):  
Bernhard Knapp ◽  
James Dunbar ◽  
Charlotte M. Deane
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Large Scale ◽  
Peptide Ligands ◽  
Dynamics Simulation ◽  
Altered Peptide Ligands ◽  
Scale Characterization

Molecular dynamics simulation study on characterization of bis(triethoxysilyl)-ethane and bis(triethoxysilyl)ethylene derived silica-based membranes

2013 ◽  
Vol 51 (25-27) ◽  
pp. 5248-5253 ◽  
Author(s):  
Takashi Shimoyama ◽  
Tomohisa Yoshioka ◽  
Hiroki Nagasawa ◽  
Masakoto Kanezashi ◽  
Toshinori Tsuru
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation

Cooling rate dependence of solidification for liquid aluminium: a large-scale molecular dynamics simulation study

2016 ◽  
Vol 18 (26) ◽  
pp. 17461-17469 ◽  
Author(s):  
Z. Y. Hou ◽  
K. J. Dong ◽  
Z. A. Tian ◽  
R. S. Liu ◽  
Z. Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Cooling Rate ◽  
Simulation Study ◽  
Large Scale ◽  
Solidification Process ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Liquid Aluminium ◽  
Dynamics Method

The effect of the cooling rate on the solidification process of liquid aluminium is studied using a large-scale molecular dynamics method.

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