Conformational Flexibility of Manxane Revealed by Adiabatic Mapping, Normal Mode Analysis, and Molecular Dynamics

1995 ◽  
Vol 99 (22) ◽  
pp. 9034-9044 ◽  
Author(s):  
Richard B. Sessions ◽  
David J. Osguthorpe ◽  
Pnina Dauber-Osguthorpe
Keyword(s):  
Molecular Dynamics ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Conformational Flexibility ◽  
Mode Analysis

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
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Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis

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

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Vol 119 (2) ◽  
pp. 646-650 ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Normal Mode ◽  
Normal Mode Analysis ◽  
Mode Analysis

The type IA topoisomerase catalytic cycle: A normal mode analysis and molecular dynamics simulation

2008 ◽  
Vol 71 (4) ◽  
pp. 1984-1994 ◽  
Author(s):  
Bing Xiong ◽  
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
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