scholarly journals Molecular Recognition of Agonist and Antagonist for Peroxisome Proliferator-Activated Receptor-α Studied by Molecular Dynamics Simulations

2014 ◽  
Vol 15 (5) ◽  
pp. 8743-8752 ◽  
Author(s):  
Mengyuan Liu ◽  
Lushan Wang ◽  
Xian Zhao ◽  
Xun Sun
Keyword(s):  
Molecular Dynamics ◽  
Molecular Recognition ◽  
Molecular Dynamics Simulations ◽  
Peroxisome Proliferator ◽  
Peroxisome Proliferator Activated Receptor ◽  
Agonist And Antagonist ◽  
Dynamics Simulations

Insights on HIV-1 Tat:P/CAF bromodomain molecular recognition from in vivo experiments and molecular dynamics simulations

2005 ◽  
Vol 62 (4) ◽  
pp. 1062-1073 ◽  
Author(s):  
Sergio Pantano ◽  
Alessandro Marcello ◽  
Aldo Ferrari ◽  
Daniele Gaudiosi ◽  
Arianna Sabò ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Recognition ◽  
Molecular Dynamics Simulations ◽  
In Vivo Experiments ◽  
Dynamics Simulations ◽  
Hiv 1

scholarly journals A molecular dynamics study on glucose molecular recognition by a non-enzymatic selective sensor based on a conducting polymer

2019 ◽  
Vol 21 (15) ◽  
pp. 8099-8107 ◽  
Author(s):  
David Zanuy ◽  
Georgina Fabregat ◽  
Carlos A. Ferreira ◽  
Carlos Alemán
Keyword(s):  
Molecular Dynamics ◽  
Molecular Recognition ◽  
Molecular Dynamics Simulations ◽  
Conducting Polymer ◽  
Selective Detection ◽  
Detection Mechanism ◽  
Dynamics Simulations ◽  
Selective Sensor

Atomistic molecular dynamics simulations have been used to ascertain the selective detection mechanism of glucose by poly(hydroxymethyl-3,4-ethylenedioxythiophene).

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