(Q38976083)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

21 February 2020

title

Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

G protein-coupled receptor

21 February 2020

main subject

0 references

0 references

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

21 February 2020

author name string

Damián Palomba

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

21 February 2020

language of work or name

English

0 references

publication date

1 September 2015

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

21 February 2020

published in

Chemical Communications

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

21 February 2020

volume

51

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

21 February 2020

issue

71

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

21 February 2020

page(s)

13576-13594

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

Seven-transmembrane receptors

21 February 2020

cites work

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Molecular mechanisms of ligand binding, signaling, and regulation within the superfamily of G-protein-coupled receptors: molecular modeling and mutagenesis approaches to receptor structure and function

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Mutant G-protein-coupled receptors as a cause of human diseases

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Strategies to discover unexpected targets for drugs active at G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The significance of G protein-coupled receptor crystallography for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The G-protein-coupled receptors in the human genome form five main families. Phylogenetic analysis, paralogon groups, and fingerprints

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Automatic gene collection system for genome-scale overview of G-protein coupled receptors in eukaryotes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structural diversity of G protein-coupled receptors and significance for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Unifying family A GPCR theories of activation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Heterotrimeric G protein activation by G-protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The structure and function of G-protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Progress in structure based drug design for G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based drug design for G protein-coupled receptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The GPCR crystallography boom: providing an invaluable source of structural information and expanding the scope of homology modeling

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Update 1 of: computational modeling approaches to structure-function analysis of G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The use of GPCR structures in drug design.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Computational studies to predict or explain G protein coupled receptor polypharmacology

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structural probing of off-target G protein-coupled receptor activities within a series of adenosine/adenine congeners

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The structure of bovine rhodopsin

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Crystal structure of rhodopsin: A G protein-coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

A monoclonal antibody for G protein-coupled receptor crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Crystal structure of the human beta2 adrenergic G-protein-coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Fusion partner toolchest for the stabilization and crystallization of G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of a nanobody-stabilized active state of the β(2) adrenoceptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The properties of thermostabilised G protein-coupled receptors (StaRs) and their use in drug discovery.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Crystal structure of the β2 adrenergic receptor-Gs protein complex

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of a beta1-adrenergic G-protein-coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the human histamine H1 receptor complex with doxepin

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure and dynamics of the M3 muscarinic acetylcholine receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structural Basis for Molecular Recognition at Serotonin Receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structural Features for Functional Selectivity at Serotonin Receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Crystal structure of a lipid G protein-coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the CCR5 Chemokine Receptor-HIV Entry Inhibitor Maraviroc Complex

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the δ-opioid receptor bound to naltrindole

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Crystal structure of the µ-opioid receptor bound to a morphinan antagonist

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the human κ-opioid receptor in complex with JDTic

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the nociceptin/orphanin FQ receptor in complex with a peptide mimetic

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the agonist-bound neurotensin receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

High-resolution crystal structure of human protease-activated receptor 1

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the human P2Y12 receptor in complex with an antithrombotic drug

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Two disparate ligand-binding sites in the human P2Y1 receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of class B GPCR corticotropin-releasing factor receptor 1

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the human glucagon class B G-protein-coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure of the human smoothened receptor bound to an antitumour agent

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The importance of interactions with helix 5 in determining the efficacy of β-adrenoceptor ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The importance of ligands for G protein-coupled receptor stability.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Activation and allosteric modulation of a muscarinic acetylcholine receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

From heptahelical bundle to hits from the Haystack: structure-based virtual screening for GPCR ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

New insights from structural biology into the druggability of G protein-coupled receptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GPCR agonist binding revealed by modeling and crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Restructuring G-protein- coupled receptor activation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Modeling the 3D structure of GPCRs from sequence

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Prediction of structure and function of G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

G protein-coupled receptors: in silico drug discovery in 3D.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Ligand-stabilized conformational states of human beta(2) adrenergic receptor: insight into G-protein-coupled receptor activation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Predicted structure of agonist-bound glucagon-like peptide 1 receptor, a class B G protein-coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

PREDICT modeling and in-silico screening for G-protein coupled receptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GPCR-I-TASSER: A Hybrid Approach to G Protein-Coupled Receptor Structure Modeling and the Application to the Human Genome

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Protein structure modeling in the proteomics era.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Sequence analyses of G-protein-coupled receptors: similarities to rhodopsin

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Drug efficacy at G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Conformational complexity of G-protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The effect of ligand efficacy on the formation and stability of a GPCR-G protein complex

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Homology models in docking and high-throughput docking.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Comparative modeling of proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Template-based protein structure modeling

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Homology modeling of class a G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Revisiting the homology modeling of G-protein coupled receptors: β1-adrenoceptor as an example.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Recognition of privileged structures by G-protein coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Comparative sequence and structural analyses of G-protein-coupled receptor crystal structures and implications for molecular models

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Modern homology modeling of G-protein coupled receptors: which structural template to use?

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Comparison of three GPCR structural templates for modeling of the P2Y12 nucleotide receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Ligand-steered modeling and docking: A benchmarking study in class A G-protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

In silico analysis of the binding of agonists and blockers to the β2-adrenergic receptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

In silico screening for agonists and blockers of the β(2) adrenergic receptor: implications of inactive and activated state structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Impact of template choice on homology model efficiency in virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Ligand-optimized homology models of D₁ and D₂ dopamine receptors: application for virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Critical analysis of the successes and failures of homology models of G protein-coupled receptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Impact of helix irregularities on sequence alignment and homology modeling of G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Homology modeling in drug discovery: current trends and applications

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GPCRDB: information system for G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Customizing G Protein-coupled receptor models for structure-based virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

6-Methoxy-N-alkyl isatin acylhydrazone derivatives as a novel series of potent selective cannabinoid receptor 2 inverse agonists: design, synthesis, and binding mode prediction

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

2,3-Dihydro-1-benzofuran derivatives as a series of potent selective cannabinoid receptor 2 agonists: design, synthesis, and binding mode prediction through ligand-steered modeling.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Mastering tricyclic ring systems for desirable functional cannabinoid activity

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Protein flexibility in ligand docking and virtual screening to protein kinases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Representing receptor flexibility in ligand docking through relevant normal modes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

High throughput screening for inhibitors of the HECT ubiquitin E3 ligase ITCH identifies antidepressant drugs as regulators of autophagy

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Ligand-based homology modeling as attractive tool to inspect GPCR structural plasticity

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Novel procedure for modeling ligand/receptor induced fit effects.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

On the applicability of GPCR homology models to computer-aided drug discovery: a comparison between in silico and crystal structures of the beta2-adrenergic receptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Homology modeling and docking evaluation of aminergic G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Homology modeling of human muscarinic acetylcholine receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based virtual screening of MT2 melatonin receptor: influence of template choice and structural refinement.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding site

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assays

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The impact of molecular dynamics sampling on the performance of virtual screening against GPCRs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Diversity and modularity of G protein-coupled receptor structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Importance of the extracellular loops in G protein-coupled receptors for ligand recognition and receptor activation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Discovery of new GPCR biology: one receptor structure at a time

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based identification of binding sites, native ligands and potential inhibitors for G-protein coupled receptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Successful prediction of the intra- and extracellular loops of four G-protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Loop prediction for a GPCR homology model: algorithms and results.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure prediction of the second extracellular loop in G-protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Consistent View of Protein Fluctuations from All-Atom Molecular Dynamics and Coarse-Grained Dynamics with Knowledge-Based Force-Field

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Monte Carlo loop refinement and virtual screening of the thyroid-stimulating hormone receptor transmembrane domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

ModLoop: automated modeling of loops in protein structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Modeling structurally variable regions in homologous proteins with rosetta.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

SuperLooper--a prediction server for the modeling of loops in globular and membrane proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Modelling three-dimensional protein structures for applications in drug design.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

PROCHECK: a program to check the stereochemical quality of protein structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Errors in protein structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

MolProbity: all-atom contacts and structure validation for proteins and nucleic acids

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Ligand and decoy sets for docking to G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

A virtual screen for diverse ligands: discovery of selective G protein-coupled receptor antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (FFAR1) using virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Conserved Binding Mode of Human β 2 Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Docking methods for structure-based library design

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

A critical assessment of docking programs and scoring functions

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Ligand docking and structure-based virtual screening in drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

A large-scale experiment to assess protein structure prediction methods.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Towards improved quality of GPCR models by usage of multiple templates and profile-profile comparison

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GPCR-SSFE: a comprehensive database of G-protein-coupled receptor template predictions and homology models

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GOMoDo: A GPCRs online modeling and docking webserver

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Molecular Modelling of G Protein-Coupled Receptors Through the Web.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Characterization of the dynamic events of GPCRs by automated computational simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Automatic modeling of mammalian olfactory receptors and docking of odorants

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Statistical potential for assessment and prediction of protein structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Protein structure prediction using Rosetta

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Protein homology detection by HMM-HMM comparison

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

VADAR: a web server for quantitative evaluation of protein structure quality

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

HADDOCK: a protein-protein docking approach based on biochemical or biophysical information

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Fpocket: an open source platform for ligand pocket detection.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Convergent algorithms for protein structural alignment

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

In silico modeling of human α2C-adrenoreceptor interaction with filamin-2

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based discovery of beta2-adrenergic receptor ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based discovery of A2A adenosine receptor ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

New insights for drug design from the X-ray crystallographic structures of G-protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based and fragment-based GPCR drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Discovery of novel human histamine H4 receptor ligands by large-scale structure-based virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

In silico identified CCR4 antagonists target regulatory T cells and exert adjuvant activity in vaccination

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Integration of virtual screening with high-throughput flow cytometry to identify novel small molecule formylpeptide receptor antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Identification of residues important for agonist recognition and activation in GPR40

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GPCRpred: an SVM-based method for prediction of families and subfamilies of G-protein coupled receptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

A general model of G protein-coupled receptor sequences and its application to detect remote homologs

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GLASS: a comprehensive database for experimentally validated GPCR-ligand associations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Implementing the "Best Template Searching" tool into Adenosiland platform

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Adenosiland: walking through adenosine receptors landscape

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GPCRserver: an accurate and novel G protein-coupled receptor predictor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

FINDSITE(X): a structure-based, small molecule virtual screening approach with application to all identified human GPCRs

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GPCRDB: an information system for G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

PDBTM: Protein Data Bank of transmembrane proteins after 8 years

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

TinyGRAP database: a bioinformatics tool to mine G-protein-coupled receptor mutant data.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

MPtopo: A database of membrane protein topology

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Requirements and ontology for a G protein-coupled receptor oligomerization knowledge base

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The Concise Guide to PHARMACOLOGY 2013/14: G protein-coupled receptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GLIDA: GPCR--ligand database for chemical genomics drug discovery--database and tools update

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GPCRRD: G protein-coupled receptor spatial restraint database for 3D structure modeling and function annotation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

ZINC--a free database of commercially available compounds for virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Identification of novel adenosine A(2A) receptor antagonists by virtual screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GRID-based three-dimensional pharmacophores I: FLAPpharm, a novel approach for pharmacophore elucidation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

GRID-based three-dimensional pharmacophores II: PharmBench, a benchmark data set for evaluating pharmacophore elucidation methods

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Optimized method of G-protein-coupled receptor homology modeling: its application to the discovery of novel CXCR7 ligands.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

ChEMBL: a large-scale bioactivity database for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Sequential application of ligand and structure based modeling approaches to index chemicals for their hH4R antagonism

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Virtual fragment screening on GPCRs: a case study on dopamine D3 and histamine H4 receptors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Cell-based and virtual fragment screening for adrenergic α2C receptor agonists.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H4 receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Discovery of a novel CCR5 antagonist lead compound through fragment assembly.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The use of G-protein coupled receptor models in lead optimization

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Discovery of 1,2,4-Triazine Derivatives as Adenosine A 2A Antagonists using Structure Based Drug Design

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

The discovery of phthalazinone-based human H1 and H3 single-ligand antagonists suitable for intranasal administration for the treatment of allergic rhinitis

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-based drug design using GPCR homology modeling: toward the discovery of novel selective CysLT2 antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Rational design of sulfonated A3 adenosine receptor-selective nucleosides as pharmacological tools to study chronic neuropathic pain

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-Based Design, Synthesis by Click Chemistry and in Vivo Activity of Highly Selective A3 Adenosine Receptor Agonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Selective and potent adenosine A3 receptor antagonists by methoxyaryl substitution on the N-(2,6-diarylpyrimidin-4-yl)acetamide scaffold

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Computer-aided design of GPCR ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Critical assessment of methods of protein structure prediction (CASP)--round x

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Docking and scoring protein complexes: CAPRI 3rd Edition

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Docking and scoring protein interactions: CAPRI 2009.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Elucidation of relaxin-3 binding interactions in the extracellular loops of RXFP3.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Insights into the binding modes of CC chemokine receptor 4 (CCR4) inhibitors: a combined approach involving homology modelling, docking, and molecular dynamics simulation studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Mutation analysis and molecular modeling for the investigation of ligand-binding modes of GPR84.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Mode of binding of the cyclic agonist peptide TC14012 to CXCR7: identification of receptor and compound determinants

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Binding pathway of histamine to the hH4R, observed by unconstrained molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive allosteric modulator LUF6000.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Non-peptide ligand binding to the formyl peptide receptor FPR2--A comparison to peptide ligand binding modes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Dopamine D1 receptor-agonist interactions: A mutagenesis and homology modeling study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Molecular determinants of ligand binding modes in the histamine H(4) receptor: linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Molecular insights into the dynamics of pharmacogenetically important N-terminal variants of the human β2-adrenergic receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure and dynamics of DRD4 bound to an agonist and an antagonist using in silico approaches

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Defining the molecular basis for the first potent and selective orthosteric agonists of the FFA2 free fatty acid receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Solid-supported synthesis, molecular modeling, and biological activity of long-chain arylpiperazine derivatives with cyclic amino acid amide fragments as 5-HT(7) and 5-HT(1A) receptor ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Design, characterization, and first-in-human study of the vascular actions of a novel biased apelin receptor agonist

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Optimization of 2-phenylcyclopropylmethylamines as selective serotonin 2C receptor agonists and their evaluation as potential antipsychotic agents

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

5'-C-Ethyl-tetrazolyl-N(6)-substituted adenosine and 2-chloro-adenosine derivatives as highly potent dual acting A1 adenosine receptor agonists and A3 adenosine receptor antagonists.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Stereoselective synthesis, biological evaluation, and modeling of novel bile acid-derived G-protein coupled bile acid receptor 1 (GP-BAR1, TGR5) agonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Extended N(6) substitution of rigid C2-arylethynyl nucleosides for exploring the role of extracellular loops in ligand recognition at the A3 adenosine receptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Toward an understanding of agonist binding to human Orexin-1 and Orexin-2 receptors with G-protein-coupled receptor modeling and site-directed mutagenesis

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Modeling the adenosine receptors: comparison of the binding domains of A2A agonists and antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

I-TASSER: a unified platform for automated protein structure and function prediction

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Chemogenomic discovery of allosteric antagonists at the GPRC6A receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Glutamate acts as a partial inverse agonist to metabotropic glutamate receptor with a single amino acid mutation in the transmembrane domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Residues remote from the binding pocket control the antagonist selectivity towards the corticotropin-releasing factor receptor-1.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Polar transmembrane interactions drive formation of ligand-specific and signal pathway-biased family B G protein-coupled receptor conformations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Ligand binding pocket formed by evolutionarily conserved residues in the glucagon-like peptide-1 (GLP-1) receptor core domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Acyl-2-aminobenzimidazoles: a novel class of neuroprotective agents targeting mGluR5

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Allosteric Binding Site and Activation Mechanism of Class C G-Protein Coupled Receptors: Metabotropic Glutamate Receptor Family

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

New selective A2A agonists and A3 antagonists for human adenosine receptors: synthesis, biological activity and molecular docking studies

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Projection structure of rhodopsin

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

Synthesis, biological activity and molecular modeling of new biphenylic carboxamides as potent and selective CB2 receptor ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC5CC05050B

21 January 2018

Identifiers

DOI

10.1039/C5CC05050B

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26256645%20AND%20SRC:MED&resulttype=core&format=json

21 February 2020

1 reference