scholarly journals Peeking at G-protein-coupled receptors through the molecular dynamics keyhole

2019 ◽  
Vol 11 (6) ◽  
pp. 599-615 ◽  
Author(s):  
Giuseppe Deganutti ◽  
Stefano Moro ◽  
Christopher A Reynolds
Keyword(s):  
Molecular Dynamics ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
G Protein Coupled

Molecular Dynamics Simulations of G Protein-Coupled Receptors

2012 ◽  
Vol 31 (3-4) ◽  
pp. 222-230 ◽  
Author(s):  
Agostino Bruno ◽  
Gabriele Costantino
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
Dynamics Simulations ◽  
G Protein Coupled

Comparative molecular dynamics study of the seven-helix bundle arrangement of G-protein coupled receptors

1995 ◽  
Vol 333 (1-2) ◽  
pp. 49-69 ◽  
Author(s):  
F. Fanelli ◽  
M.C. Menziani ◽  
M. Cocchi ◽  
P.G. De Benedetti
Keyword(s):  
Molecular Dynamics ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
Helix Bundle ◽  
G Protein Coupled

scholarly journals Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics

2014 ◽  
Vol 16 (14) ◽  
pp. 6398 ◽  
Author(s):  
Yinglong Miao ◽  
Sara E. Nichols ◽  
J. Andrew McCammon
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
G Protein ◽  
Energy Landscape ◽  
G Protein Coupled Receptors ◽  
Free Energy Landscape ◽  
Accelerated Molecular Dynamics ◽  
G Protein Coupled

scholarly journals An Ensemble-Based Protocol for the Computational Prediction of Helix–Helix Interactions in G Protein-Coupled Receptors using Coarse-Grained Molecular Dynamics

2017 ◽  
Vol 13 (5) ◽  
pp. 2254-2270 ◽  
Author(s):  
Nojood A. Altwaijry ◽  
Michael Baron ◽  
David W. Wright ◽  
Peter V. Coveney ◽  
Andrea Townsend-Nicholson
Keyword(s):  
Molecular Dynamics ◽  
G Protein ◽  
Computational Prediction ◽  
G Protein Coupled Receptors ◽  
Coarse Grained ◽  
G Protein Coupled ◽  
Coarse Grained Molecular Dynamics ◽  
Helix Interactions

scholarly journals Protein-water hydrogen-bond networks of G protein-coupled receptors: Graph-based analyses of static structures and molecular dynamics

2020 ◽  
Vol 212 (3) ◽  
pp. 107634 ◽  
Author(s):  
Éva Bertalan ◽  
Samo Lešnik ◽  
Urban Bren ◽  
Ana-Nicoleta Bondar
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
G Protein ◽  
G Protein Coupled Receptors ◽  
Hydrogen Bond Networks ◽  
G Protein Coupled ◽  
Water Hydrogen
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