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

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

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

http://www.wikidata.org/entity/Q34619309

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Structure-based discovery of opioid analgesics with reduced side effects.Substrate Deconstruction and the Nonadditivity of Enzyme Recognition Function-specific virtual screening for GPCR ligands using a combined scoring method Ligand pose and orientational sampling in molecular docking Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor Discovery of GPCR ligands for probing signal transduction pathways.Structure-based ligand discovery targeting orthosteric and allosteric pockets of dopamine receptors.Computational studies to predict or explain G protein coupled receptor polypharmacology Molecular docking screening using agonist-bound GPCR structures: probing the A2A adenosine receptor.Integrated Approaches for Genome-wide Interrogation of the Druggable Non-olfactory G Protein-coupled Receptor Superfamily.Conformationally selective RNA aptamers allosterically modulate the β2-adrenoceptor.DREADDs for Neuroscientists.Pinpointing beta adrenergic receptor in ageing pathophysiology: victim or executioner? Evidence from crime scenes.Muscarinic receptors as model targets and antitargets for structure-based ligand discovery.Accelerated structure-based design of chemically diverse allosteric modulators of a muscarinic G protein-coupled receptor.Chemotype-selective modes of action of κ-opioid receptor agonists.Minireview: More than just a hammer: ligand "bias" and pharmaceutical discovery.SAMPL4 & DOCK3.7: lessons for automated docking procedures.Structure-based and fragment-based GPCR drug discovery.The receptor concept in 3D: from hypothesis and metaphor to GPCR-ligand structures.The role of catecholamines in mesenchymal stem cell fate.Identifying ligands at orphan GPCRs: current status using structure-based approaches.Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models.Recent Advances and Applications of Molecular Docking to G Protein-Coupled Receptors.Potent inhibition of TGF-β signaling pathway regulator Abl: potential therapeutics for hepatic fibrosis.Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges.Mapping functional group free energy patterns at protein occluded sites: nuclear receptors and G-protein coupled receptors.N-{[2-(4-Phenyl-piperazin-1-yl)-ethyl]-phenyl}-arylamides with dopamine D₂ and 5-Hydroxytryptamine 5HT(1A) activity: synthesis, testing, and molecular modeling.Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs.[G protein-coupled receptors in the spot light].Approaches for Differentiation and Interconverting GPCR Agonists and Antagonists.GPCRs: What Can We Learn from Molecular Dynamics Simulations?Identifying Functional Hotspot Residues for Biased Ligand Design in G-protein-coupled Receptors.Structure-based discovery of selective positive allosteric modulators of antagonists for the M2 muscarinic acetylcholine receptor.Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design.Investigating allosteric effects on the functional dynamics of β2-adrenergic ternary complexes with enhanced-sampling simulations Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H4 receptor

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P2860

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

http://www.wikidata.org/entity/Q34619309

description

2013 nî lūn-bûn

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2013 թուականի Մարտին հրատարակուած գիտական յօդուած

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2013 թվականի մարտին հրատարակված գիտական հոդված

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2013年の論文

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2013年論文

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2013年論文

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2013年論文

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2013年論文

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2013年论文

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Conformation guides molecular ...... gic G protein coupled receptor

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Conformation guides molecular ...... gic G protein coupled receptor

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Conformation guides molecular ...... gic G protein coupled receptor

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Conformation guides molecular ...... gic G protein coupled receptor

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Conformation guides molecular ...... gic G protein coupled receptor

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Conformation guides molecular ...... gic G protein coupled receptor

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Conformation guides molecular ...... gic G protein coupled receptor

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Conformation guides molecular ...... gic G protein coupled receptor

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ACS Chemical Biology

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Conformation guides molecular ...... gic G protein coupled receptor

@en

P2093

Andrew Kleist

http://www.w3.org/2001/XMLSchema#string

Brian K Shoichet

http://www.w3.org/2001/XMLSchema#string

Bryan L Roth

http://www.w3.org/2001/XMLSchema#string

Maria F Sassano

http://www.w3.org/2001/XMLSchema#string

Robert J Lefkowitz

http://www.w3.org/2001/XMLSchema#string

Ryan Strachan

http://www.w3.org/2001/XMLSchema#string

SeungKirl Ahn

http://www.w3.org/2001/XMLSchema#string

Xiao Zhu

http://www.w3.org/2001/XMLSchema#string

P2860

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

Structure and function of an irreversible agonist-β(2) adrenoceptor complex

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

Crystal structure of the β2 adrenergic receptor-Gs protein complex

The genetic design of signaling cascades to record receptor activation

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

Comparative protein modelling by satisfaction of spatial restraints

ChEMBL: a large-scale bioactivity database for drug discovery

A simple method for quantifying functional selectivity and agonist bias

ZINC: a free tool to discover chemistry for biology

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10.1021/CB400103F

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5

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8

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236041396

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23485065

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G protein-coupled receptor

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3658555

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