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Increasingly accurate dynamic molecular models of G-protein coupled receptor oligomers: Panacea or Pandora's box for novel drug discovery?

Life sciences (1973), 2010-04, Vol.86 (15), p.590-597

Filizola, Marta

2010

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G protein-coupled receptor oligomerization revisited: functional and pharmacological perspectives

Pharmacological reviews, 2014-04, Vol.66 (2), p.413-434

2014

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

Current opinion in structural biology, 2011-08, Vol.21 (4), p.552-558

2011

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Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model

PLoS computational biology, 2016-12, Vol.12 (12), p.e1005240-e1005240

2016

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High-resolution structures of multiple 5-HT3AR-setron complexes reveal a novel mechanism of competitive inhibition

eLife, 2020-10, Vol.9

2020

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Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis

PLoS computational biology, 2019-01, Vol.15 (1), p.e1006689-e1006689

2019

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Structure-based characterization of novel TRPV5 inhibitors

eLife, 2019-10, Vol.8

2019

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Metadynamics simulations leveraged by statistical analyses and artificial intelligence-based tools to inform the discovery of G protein-coupled receptor ligands

Frontiers in endocrinology (Lausanne), 2022-12, Vol.13, p.1099715-1099715

2022

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Dopamine D2 receptors form higher order oligomers at physiological expression levels

The EMBO journal, 2008-09, Vol.27 (17), p.2293-2304

2008

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Preferred supramolecular organization and dimer interfaces of opioid receptors from simulated self-association

PLoS computational biology, 2015-03, Vol.11 (3), p.e1004148-e1004148

2015

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Assessing the relative stability of dimer interfaces in g protein-coupled receptors

PLoS computational biology, 2012-08, Vol.8 (8), p.e1002649-e1002649

2012

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Insights From Molecular Dynamics Simulations of a Number of G-Protein Coupled Receptor Targets for the Treatment of Pain and Opioid Use Disorders

Frontiers in molecular neuroscience, 2019-08, Vol.12, p.207-207

2019

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Differences in interactions between transmembrane domains tune the activation of metabotropic glutamate receptors

eLife, 2021-04, Vol.10

2021

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Ligand-induced modulation of the free-energy landscape of G protein-coupled receptors explored by adaptive biasing techniques

PLoS computational biology, 2011-10, Vol.7 (10), p.e1002193-e1002193

2011

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Proposed Mode of Binding and Action of Positive Allosteric Modulators at Opioid Receptors

ACS chemical biology, 2016-05, Vol.11 (5), p.1220-1229

2016

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Insights from molecular dynamics simulations to exploit new trends for the development of improved opioid drugs

Neuroscience letters, 2019-05, Vol.700, p.50-55

Filizola, Marta

2019

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International Union of Basic and Clinical Pharmacology. LXVII. Recommendations for the recognition and nomenclature of G protein-coupled receptor heteromultimers

Pharmacological reviews, 2007-03, Vol.59 (1), p.5

2007

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Opioid receptors: Structural and mechanistic insights into pharmacology and signaling

European journal of pharmacology, 2015-09, Vol.763 (Pt B), p.206-213

2015

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Phosphorylation of the retinoic acid receptor alpha induces a mechanical allosteric regulation and changes in internal dynamics

PLoS computational biology, 2013-04, Vol.9 (4), p.e1003012-e1003012

2013

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GPCR-OKB: the G Protein Coupled Receptor Oligomer Knowledge Base

Bioinformatics, 2010-07, Vol.26 (14), p.1804-1805

2010

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Influence of oligomerization on the dynamics of G-protein coupled receptors as assessed by normal mode analysis

Proteins, structure, function, and bioinformatics, 2008-05, Vol.71 (2), p.575-586

2008

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How Oliceridine (TRV-130) Binds and Stabilizes a μ‑Opioid Receptor Conformational State That Selectively Triggers G Protein Signaling Pathways

Biochemistry (Easton), 2016-11, Vol.55 (46), p.6456-6466

2016

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Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer

Journal of computer-aided molecular design, 2006-08, Vol.20 (7-8), p.405-416

2006

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Molecular Determinants and Thermodynamics of the Amyloid Precursor Protein Transmembrane Domain Implicated in Alzheimer's Disease

Journal of molecular biology, 2011-05, Vol.408 (5), p.879-895

2011

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Increasingly accurate dynamic molecular models of G-protein coupled receptor oligomers: Panacea or Pandora's box for novel drug discovery?

G protein-coupled receptor oligomerization revisited: functional and pharmacological perspectives

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

Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model

High-resolution structures of multiple 5-HT3AR-setron complexes reveal a novel mechanism of competitive inhibition

Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis

Structure-based characterization of novel TRPV5 inhibitors

Metadynamics simulations leveraged by statistical analyses and artificial intelligence-based tools to inform the discovery of G protein-coupled receptor ligands

Dopamine D2 receptors form higher order oligomers at physiological expression levels

Preferred supramolecular organization and dimer interfaces of opioid receptors from simulated self-association

Assessing the relative stability of dimer interfaces in g protein-coupled receptors

Insights From Molecular Dynamics Simulations of a Number of G-Protein Coupled Receptor Targets for the Treatment of Pain and Opioid Use Disorders

Differences in interactions between transmembrane domains tune the activation of metabotropic glutamate receptors

Ligand-induced modulation of the free-energy landscape of G protein-coupled receptors explored by adaptive biasing techniques

Proposed Mode of Binding and Action of Positive Allosteric Modulators at Opioid Receptors

Decoding the Signaling of a GPCR Heteromeric Complex Reveals a Unifying Mechanism of Action of Antipsychotic Drugs

Insights from molecular dynamics simulations to exploit new trends for the development of improved opioid drugs

International Union of Basic and Clinical Pharmacology. LXVII. Recommendations for the recognition and nomenclature of G protein-coupled receptor heteromultimers

Opioid receptors: Structural and mechanistic insights into pharmacology and signaling

Phosphorylation of the retinoic acid receptor alpha induces a mechanical allosteric regulation and changes in internal dynamics

GPCR-OKB: the G Protein Coupled Receptor Oligomer Knowledge Base

Influence of oligomerization on the dynamics of G-protein coupled receptors as assessed by normal mode analysis

How Oliceridine (TRV-130) Binds and Stabilizes a μ‑Opioid Receptor Conformational State That Selectively Triggers G Protein Signaling Pathways

Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer

Molecular Determinants and Thermodynamics of the Amyloid Precursor Protein Transmembrane Domain Implicated in Alzheimer's Disease

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