Ab InitioModeling and Molecular Dynamics Simulation of the α1b-Adrenergic Receptor Activation

Methods ◽  
1998 ◽  
Vol 14 (3) ◽  
pp. 302-317 ◽  
Author(s):  
Francesca Fanelli ◽  
Cristina Menziani ◽  
Alexander Scheer ◽  
Susanna Cotecchia ◽  
Pier G. De Benedetti
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Adrenergic Receptor ◽  
Receptor Activation ◽  
Dynamics Simulation

Exploring the mechanism of F282L mutation-caused constitutive activity of GPCR by a computational study

2016 ◽  
Vol 18 (42) ◽  
pp. 29412-29422 ◽  
Author(s):  
Nan Gao ◽  
Tao Liang ◽  
Yuan Yuan ◽  
Xiuchan Xiao ◽  
Yihuan Zhao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Adrenergic Receptor ◽  
Computational Study ◽  
Dynamics Simulation ◽  
Constitutive Activity ◽  
Β2 Adrenergic Receptor

The effect of F282L mutation on the structure, the structural communication pathways and the selection to ligands were explored by microsecond molecular dynamics simulation for β2 adrenergic receptor.

Understanding the conformation transition in the activation pathway of β2 adrenergic receptor via a targeted molecular dynamics simulation

2015 ◽  
Vol 17 (4) ◽  
pp. 2512-2522 ◽  
Author(s):  
Xiuchan Xiao ◽  
Xiaojun Zeng ◽  
Yuan Yuan ◽  
Nan Gao ◽  
Yanzhi Guo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Adrenergic Receptor ◽  
Dynamics Simulation ◽  
Activation Pathway ◽  
Targeted Molecular Dynamics ◽  
Β2 Adrenergic Receptor ◽  
Conformation Transition

The conformation transition in the activation pathway of β2 adrenergic receptor was explored mainly using a target molecular dynamics simulation.

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