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

Future Medicinal Chemistry ◽

10.4155/fmc-2018-0393 ◽

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

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Faculty Opinions recommendation of Mapping the druggable allosteric space of G-protein coupled receptors: a fragment-based molecular dynamics approach.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.4987956.4919054 ◽

2010 ◽

Author(s):

Zelda R Wasserman

Keyword(s):

Molecular Dynamics ◽

G Protein ◽

G Protein Coupled Receptors ◽

G Protein Coupled

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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 ◽

Author(s):

João Marcelo Lamim Ribeiro ◽

Marta Filizola

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

G Protein ◽

G Protein Coupled Receptors ◽

Dynamics Simulations ◽

G Protein Coupled

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Molecular Dynamics Simulations of G Protein-Coupled Receptors

Molecular Informatics ◽

10.1002/minf.201100138 ◽

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

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Showcasing modern molecular dynamics simulations of membrane proteins through G protein-coupled receptors

Current Opinion in Structural Biology ◽

10.1016/j.sbi.2011.06.008 ◽

2011 ◽

Vol 21 (4) ◽

pp. 552-558 ◽

Author(s):

Jennifer M Johnston ◽

Marta Filizola

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽

Molecular Dynamics Simulations ◽

G Protein ◽

G Protein Coupled Receptors ◽

Dynamics Simulations ◽

G Protein Coupled

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An Efficient Molecular Dynamics Simulation Strategy to Investigate the Mechanistic Basis for Biased Agonism at G Protein-Coupled Receptors

Biophysical Journal ◽

10.1016/j.bpj.2017.11.1129 ◽

2018 ◽

Vol 114 (3) ◽

pp. 202a

Author(s):

Derya Meral ◽

Davide Provasi ◽

Marta Filizola

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

G Protein ◽

G Protein Coupled Receptors ◽

Dynamics Simulation ◽

Biased Agonism ◽

Simulation Strategy ◽

Mechanistic Basis ◽

G Protein Coupled

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Faculty Opinions recommendation of Mapping the druggable allosteric space of G-protein coupled receptors: a fragment-based molecular dynamics approach.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.4987956.793458080 ◽

2012 ◽

Author(s):

Dimitrios Morikis

Keyword(s):

Molecular Dynamics ◽

G Protein ◽

G Protein Coupled Receptors ◽

G Protein Coupled

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

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)03950-p ◽

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

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

Physical Chemistry Chemical Physics ◽

10.1039/c3cp53962h ◽

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

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

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.6b01246 ◽

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

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

Journal of Structural Biology ◽

10.1016/j.jsb.2020.107634 ◽

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 ◽

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