Molecular Dynamics Simulations of the Effect of the G-Protein and Diffusible Ligands on the β2-Adrenergic Receptor

G Protein ◽

Adrenergic Receptor ◽

Β2 Adrenergic Receptor ◽

Stereoselective binding of agonists to the β2-adrenergic receptor: insights into molecular details and thermodynamics from molecular dynamics simulations

Molecular BioSystems ◽

10.1039/c6mb00814c ◽

2017 ◽

Vol 13 (5) ◽

pp. 910-920 ◽

Cited By ~ 5

Author(s):

Anita Plazinska ◽

Wojciech Plazinski

Keyword(s):

Molecular Dynamics ◽

Adrenergic Receptor ◽

Enhanced Sampling ◽

Β2 Adrenergic Receptor ◽

Enhanced-sampling molecular dynamics simulations show the molecular details of stereospecific binding of agonists to the β2-adrenergic receptor.

Search for β2 Adrenergic Receptor Ligands by Virtual Screening via Grid Computing and Investigation of Binding Modes by Docking and Molecular Dynamics Simulations

PLoS ONE ◽

10.1371/journal.pone.0107837 ◽

2014 ◽

Vol 9 (9) ◽

pp. e107837 ◽

Cited By ~ 6

Author(s):

Qifeng Bai ◽

Yonghua Shao ◽

Dabo Pan ◽

Yang Zhang ◽

Huanxiang Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Virtual Screening ◽

Grid Computing ◽

Adrenergic Receptor ◽

Binding Modes ◽

Receptor Ligands ◽

Β2 Adrenergic Receptor ◽

Dynamics Simulations ◽

Adrenergic Receptor Ligands

Molecular Dynamics Simulations Reveal Fundamental Role of Water As Factor Determining Affinity of Binding of β-Blocker Nebivolol to β2-Adrenergic Receptor

The Journal of Physical Chemistry B ◽

10.1021/jp909971f ◽

2010 ◽

Vol 114 (25) ◽

pp. 8374-8386 ◽

Cited By ~ 28

Author(s):

Karol Kaszuba ◽

Tomasz Róg ◽

Krzysztof Bryl ◽

Ilpo Vattulainen ◽

Mikko Karttunen

Keyword(s):

Molecular Dynamics ◽

Adrenergic Receptor ◽

Β2 Adrenergic Receptor ◽

Β Blocker ◽

Studies on the Interactions between β2 Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations

Journal of Chemical Information and Modeling ◽

10.1021/ci200594d ◽

2012 ◽

Vol 52 (4) ◽

pp. 1005-1014 ◽

Cited By ~ 36

Author(s):

Zhiwei Feng ◽

Tingjun Hou ◽

Youyong Li

Keyword(s):

Molecular Dynamics ◽

Adrenergic Receptor ◽

Β2 Adrenergic Receptor ◽

Gs Protein ◽

Molecular interactions between fenoterol stereoisomers and derivatives and the β2-adrenergic receptor binding site studied by docking and molecular dynamics simulations

Journal of Molecular Modeling ◽

10.1007/s00894-013-1981-y ◽

2013 ◽

Vol 19 (11) ◽

pp. 4919-4930 ◽

Cited By ~ 21

Author(s):

Anita Plazinska ◽

Michal Kolinski ◽

Irving W. Wainer ◽

Krzysztof Jozwiak

Keyword(s):

Molecular Dynamics ◽

Binding Site ◽

Receptor Binding ◽

Molecular Interactions ◽

Adrenergic Receptor ◽

Receptor Binding Site ◽

Β2 Adrenergic Receptor ◽

Mapping the Functional Binding Sites of Cholesterol in β2-Adrenergic Receptor by Long-Time Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp3118192 ◽

2013 ◽

Vol 117 (4) ◽

pp. 1085-1094 ◽

Cited By ~ 56

Author(s):

Xiaohui Cang ◽

Yun Du ◽

Yanyan Mao ◽

Yuanyuan Wang ◽

Huaiyu Yang ◽

...

Keyword(s):

Molecular Dynamics ◽

Binding Sites ◽

Adrenergic Receptor ◽

Long Time ◽

Β2 Adrenergic Receptor ◽

Molecular Dynamics Simulations of the A2A G-Protein Coupled Receptor

Biophysical Journal ◽

10.1016/j.bpj.2019.11.2880 ◽

2020 ◽

Vol 118 (3) ◽

pp. 524a

Author(s):

Liam I. Haas-Neill ◽

Sarah Rauscher

Keyword(s):

Molecular Dynamics ◽

G Protein ◽

G Protein Coupled Receptor ◽

Dynamics Simulations ◽

G Protein Coupled

Allostery in G protein-coupled receptors investigated by molecular dynamics simulations

Current Opinion in Structural Biology ◽

10.1016/j.sbi.2019.03.016 ◽

2019 ◽

Vol 55 ◽

pp. 121-128 ◽

Cited By ~ 5

Author(s):

João Marcelo Lamim Ribeiro ◽

Marta Filizola

Keyword(s):

Molecular Dynamics ◽

G Protein ◽

G Protein Coupled Receptors ◽

Dynamics Simulations ◽

G Protein Coupled

Molecular Dynamics Simulations of the Allosteric Modulation of the Adenosine A2a Receptor by a Mini-G Protein

Scientific Reports ◽

10.1038/s41598-019-41980-x ◽

2019 ◽

Vol 9 (1) ◽

Cited By ~ 3

Author(s):

Pedro Renault ◽

Maxime Louet ◽

Jacky Marie ◽

Gilles Labesse ◽

Nicolas Floquet

Keyword(s):

Molecular Dynamics ◽

G Protein ◽

Allosteric Modulation ◽

Adenosine A2a Receptor ◽

A2a Receptor ◽

Dynamics Simulations ◽

Adenosine A2a

Molecular Dynamics Simulations of G Protein-Coupled Receptors

Molecular Informatics ◽

10.1002/minf.201100138 ◽

2012 ◽

Vol 31 (3-4) ◽

pp. 222-230 ◽

Cited By ~ 13

Author(s):

Agostino Bruno ◽

Gabriele Costantino

Keyword(s):

Molecular Dynamics ◽

G Protein ◽

G Protein Coupled Receptors ◽

Dynamics Simulations ◽

G Protein Coupled