Low-Wavenumber Vibrational Dynamics of Liquid Formamide andN-Methylformamide:  Molecular Dynamics and Instantaneous Normal Mode Analysis

2000 ◽  
Vol 104 (18) ◽  
pp. 4174-4181 ◽  
Author(s):  
Hajime Torii ◽  
Mitsuo Tasumi
Keyword(s):  
Molecular Dynamics ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Vibrational Dynamics ◽  
Instantaneous Normal Mode

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 ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Virtual Screening ◽  
Molecular Dynamics Simulations ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis ◽  
Conformational Ensemble ◽  
Dynamics Simulations

NO in Kr and Xe solids: Molecular dynamics and normal mode analysis

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):  
Joel M. Bowman ◽  
Xiubin Zhang ◽  
Alex Brown
Keyword(s):  
Molecular Dynamics ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis
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