Application of normal mode analysis in molecular dynamics simulation of model alkanes

1990 ◽  
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Author(s):  
Gianni Cardini ◽  
Vincenzo Schettino
Keyword(s):  
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Molecular Dynamics Simulation ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Dynamics Simulation ◽  
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Vol 71 (4) ◽  
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 ◽  
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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):  
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Molecular Dynamics Simulations ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Conformational Ensemble ◽  
Dynamics Simulations

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2005 ◽  
Vol 730 (1-3) ◽  
pp. 255-261 ◽  
Author(s):  
J.C. Castro Palacio ◽  
L. Velazquez Abad ◽  
G. Rojas-Lorenzo ◽  
J. Rubayo-Soneira
Keyword(s):  
Molecular Dynamics ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis

Normal-mode analysis without the Hessian: A driven molecular-dynamics approach

2003 ◽  
Vol 119 (2) ◽  
pp. 646-650 ◽  
Author(s):  
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Xiubin Zhang ◽  
Alex Brown
Keyword(s):  
Molecular Dynamics ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis
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