(Q38848557)

20 December 2017

review article

1 reference

title

G-protein coupled receptors: advances in simulation and drug discovery (English)

1 reference

20 December 2017

G protein-coupled receptor

main subject

0 references

1 reference

1

1 reference

7 September 2017

2

J Andrew McCammon

1 reference

20 December 2017

22 June 2016

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20 December 2017

Current Opinion in Structural Biology

published in

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20 December 2017

volume

41

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20 December 2017

page(s)

83-89

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20 December 2017

Accelerated structure-based design of chemically diverse allosteric modulators of a muscarinic G protein-coupled receptor

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Crystal structures of the M1 and M4 muscarinic acetylcholine receptors

17 June 2018

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Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65.

17 June 2018

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Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor

17 June 2018

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Can Specific Protein-Lipid Interactions Stabilize an Active State of the Beta 2 Adrenergic Receptor?

17 June 2018

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New paradigms in GPCR drug discovery.

17 June 2018

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Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser

17 June 2018

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Allosteric effects of sodium ion binding on activation of the m3 muscarinic g-protein-coupled receptor

17 June 2018

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Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor

17 June 2018

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Mechanistic insights into the allosteric modulation of opioid receptors by sodium ions

17 June 2018

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Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways

17 June 2018

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Activation and allosteric modulation of a muscarinic acetylcholine receptor

17 June 2018

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Mapping of allosteric druggable sites in activation-associated conformers of the M2 muscarinic receptor

17 June 2018

1 reference

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Emerging paradigms in GPCR allostery: implications for drug discovery

17 June 2018

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Muscarinic receptors as model targets and antitargets for structure-based ligand discovery

17 June 2018

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Activation and dynamic network of the M2 muscarinic receptor

17 June 2018

1 reference

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Ligand-dependent activation and deactivation of the human adenosine A(2A) receptor.

17 June 2018

1 reference

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Molecular signatures of G-protein-coupled receptors

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

The GPCR Network: a large-scale collaboration to determine human GPCR structure and function

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

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

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Structural determinants of the supramolecular organization of G protein-coupled receptors in bilayers.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Ligand-dependent conformations and dynamics of the serotonin 5-HT(2A) receptor determine its activation and membrane-driven oligomerization properties

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Structure-based drug screening for G-protein-coupled receptors

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Structure and dynamics of the M3 muscarinic acetylcholine receptor

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

A closer look into G protein coupled receptor activation: X-ray crystallography and long-scale molecular dynamics simulations

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Activation mechanism of the β2-adrenergic receptor

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

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

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Molecular basis of ligand dissociation in β-adrenergic receptors

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Pathway and mechanism of drug binding to G-protein-coupled receptors.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Crystal structure of the β2 adrenergic receptor-Gs protein complex

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

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

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Recent progress in the study of G protein-coupled receptors with molecular dynamics computer simulations

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

G protein-coupled receptors: novel targets for drug discovery in cancer

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

The role of conformational ensembles of seven transmembrane receptors in functional selectivity

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Everything you wanted to know about Markov State Models but were afraid to ask

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Putative active states of a prototypic g-protein-coupled receptor from biased molecular dynamics.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Computational modeling of structure-function of g protein-coupled receptors with applications for drug design

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Exploring molecular mechanisms of ligand recognition by opioid receptors with metadynamics

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Allosteric modulators of GPCRs: a novel approach for the treatment of CNS disorders

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Structural basis for ligand binding and specificity in adrenergic receptors: implications for GPCR-targeted drug discovery.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

GPCR engineering yields high-resolution structural insights into beta2-adrenergic receptor function

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

First principles predictions of the structure and function of g-protein-coupled receptors: validation for bovine rhodopsin.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Escaping free-energy minima

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Molecular dynamics simulations of biomolecules

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Allosteric binding sites on cell-surface receptors: novel targets for drug discovery

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanisms.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Crystal structure of rhodopsin: A G protein-coupled receptor

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Ligand binding: molecular mechanics calculation of the streptavidin-biotin rupture force

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Molecular dynamics of dopamine at the D2 receptor

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

The role of conformational ensembles in ligand recognition in G-protein coupled receptors.

22 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Ligand entry and exit pathways in the beta2-adrenergic receptor

22 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Prediction of the 3D structure and dynamics of human DP G-protein coupled receptor bound to an agonist and an antagonist

22 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Chromophore channeling in the G-protein coupled receptor rhodopsin

22 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules

22 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Early steps of the intramolecular signal transduction in rhodopsin explored by molecular dynamics simulations

22 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Comparative modeling and molecular dynamics studies of the delta, kappa and mu opioid receptors

22 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

MD simulations of a 5-HT2A receptor model in DOPC membranes.

22 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Molecular dynamics of the 5-HT1a receptor and ligands.

22 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5154880

Signal transduction by a 5-HT2 receptor: a mechanistic hypothesis from molecular dynamics simulations of the three-dimensional model of the receptor complexed to ligands

22 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27344006

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.SBI.2016.06.008

1 reference

20 December 2017

PMCID

5154880

1 reference

20 December 2017

PubMed ID

27344006

1 reference

20 December 2017