Comparative study of cluster Ag17Cu2 by instantaneous normal mode analysis and by isothermal Brownian-type molecular dynamics simulation

2011 ◽  
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pp. 094302 ◽  
Author(s):  
Ping-Han Tang ◽  
Ten-Ming Wu ◽  
Tsung-Wen Yen ◽  
S. K. Lai ◽  
P. J. Hsu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Comparative Study ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Dynamics Simulation ◽  
Mode Analysis ◽  
Instantaneous Normal Mode

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2008 ◽  
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pp. 1984-1994 ◽  
Author(s):  
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David L. Burk ◽  
Jianhua Shen ◽  
Xiaomin Luo ◽  
Hong Liu ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Catalytic Cycle ◽  
Dynamics Simulation ◽  
Mode Analysis ◽  
Type Ia

scholarly journals Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

2015 ◽  
Vol 7 (17) ◽  
pp. 2317-2331 ◽  
Author(s):  
Gautier Moroy ◽  
Olivier Sperandio ◽  
Shakti Rielland ◽  
Saurabh Khemka ◽  
Karen Druart ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Virtual Screening ◽  
Molecular Dynamics Simulations ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Conformational Ensemble ◽  
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2011 ◽  
Vol 116 (1) ◽  
pp. 305-313 ◽  
Author(s):  
Shengting Cui ◽  
Valmor F. de Almeida ◽  
Benjamin P. Hay ◽  
Xianggui Ye ◽  
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Keyword(s):  
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Molecular Dynamics Simulation ◽  
Comparative Study ◽  
Force Field ◽  
Dynamics Simulation
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