Integrating Pharmacophore into Membrane Molecular Dynamics Simulations to Improve Homology Modeling of G Protein-coupled Receptors with Ligand Selectivity: A2AAdenosine Receptor as an Example

2015 ◽  
Vol 86 (6) ◽  
pp. 1438-1450 ◽  
Author(s):  
Lingxiao Zeng ◽  
Mengxin Guan ◽  
Hongwei Jin ◽  
Zhenming Liu ◽  
Liangren Zhang
Keyword(s):  
Molecular Dynamics ◽  
Homology Modeling ◽  
Molecular Dynamics Simulations ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
Ligand Selectivity ◽  
Dynamics Simulations ◽  
G Protein Coupled

scholarly journals Insights into G-Protein Coupled Receptors Activation from All-Atom Molecular Dynamics Simulations

2010 ◽  
Vol 98 (3) ◽  
pp. 419a-420a
Author(s):  
Stefano Vanni ◽  
Marilisa Neri ◽  
Ivano Tavernelli ◽  
Ursula Rothlisberger
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
Dynamics Simulations ◽  
G Protein Coupled
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