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

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

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

http://www.wikidata.org/entity/Q24633082

about

Structure-based discovery of opioid analgesics with reduced side effects.A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets Large-scale production and protein engineering of G protein-coupled receptors for structural studies New insights for drug design from the X-ray crystallographic structures of G-protein-coupled receptors Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure Biophysical Fragment Screening of the β 1 -Adrenergic Receptor: Identification of High Affinity Arylpiperazine Leads Using Structure-Based Drug Design Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities Function-specific virtual screening for GPCR ligands using a combined scoring method Ligand pose and orientational sampling in molecular docking The role of experimental and computational structural approaches in 7TM drug discovery.Docking Screens for Novel Ligands Conferring New Biology.Structure-function of the G protein-coupled receptor superfamily.Fragment screening at adenosine-A(3) receptors in living cells using a fluorescence-based binding assay.Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor Structural Analysis of Chemokine Receptor-Ligand Interactions.Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor PyPLIF: Python-based Protein-Ligand Interaction Fingerprinting.Fragment-based lead discovery on G-protein-coupled receptors.What can crystal structures of aminergic receptors tell us about designing subtype-selective ligands?Structure-based ligand discovery targeting orthosteric and allosteric pockets of dopamine receptors.Computational studies to predict or explain G protein coupled receptor polypharmacology Creating and virtually screening databases of fluorescently-labelled compounds for the discovery of target-specific molecular probes.Multiple fragment docking and linking in primary and secondary pockets of dopamine receptors.From G Protein-coupled Receptor Structure Resolution to Rational Drug Design.Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics.A Strategy Combining Differential Low-Throughput Screening and Virtual Screening (DLS-VS) Accelerating the Discovery of new Modulators for the Orphan GPR34 Receptor.Identification of Novel Smoothened Ligands Using Structure-Based Docking.Optimization of adenosine 5'-carboxamide derivatives as adenosine receptor agonists using structure-based ligand design and fragment screening.Structure-based design of eugenol analogs as potential estrogen receptor antagonists The GPCR Network: a large-scale collaboration to determine human GPCR structure and function.Muscarinic receptors as model targets and antitargets for structure-based ligand discovery.Structure-based drug screening for G-protein-coupled receptors Structure-function studies with G protein-coupled receptors as a paradigm for improving drug discovery and development of therapeutics.Latest developments in molecular docking: 2010-2011 in review.X-ray structural information of GPCRs in drug design: what are the limitations and where do we go?The histaminergic network in the brain: basic organization and role in disease.Allosteric interactions at adenosine A(1) and A(3) receptors: new insights into the role of small molecules and receptor dimerization.Structure-based and fragment-based GPCR drug discovery.Employing novel animal models in the design of clinically efficacious GPCR ligands.The receptor concept in 3D: from hypothesis and metaphor to GPCR-ligand structures.

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P2860

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

http://www.wikidata.org/entity/Q24633082

description

2011 nî lūn-bûn

@nan

2011 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած

@hyw

2011 թվականի դեկտեմբերին հրատարակված գիտական հոդված

@hy

2011年の論文

@ja

2011年論文

@yue

2011年論文

@zh-hant

2011年論文

@zh-hk

2011年論文

@zh-mo

2011年論文

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2011年论文

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name

Crystal structure-based virtua ...... human histamine H(1) receptor

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Crystal structure-based virtua ...... human histamine H(1) receptor

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Crystal structure-based virtua ...... human histamine H(1) receptor

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type

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Crystal structure-based virtua ...... human histamine H(1) receptor

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Crystal structure-based virtua ...... human histamine H(1) receptor

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Crystal structure-based virtua ...... human histamine H(1) receptor

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prefLabel

Crystal structure-based virtua ...... human histamine H(1) receptor

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Crystal structure-based virtua ...... human histamine H(1) receptor

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Crystal structure-based virtua ...... human histamine H(1) receptor

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P1433

Journal of Medicinal Chemistry

P1476

Crystal structure-based virtua ...... human histamine H(1) receptor

@en

P2093

Henry F Vischer

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

Iwan J P de Esch

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

Martien Kuijer

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

Mitsunori Shiroishi

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

Raymond C Stevens

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

Rob Leurs

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

So Iwata

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

Tatsuro Shimamura

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

P2860

The Universal Protein Resource (UniProt): an expanding universe of protein information.

Structure of the human histamine H1 receptor complex with doxepin

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

Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

Molecular cloning of the human histamine H1 receptor gene

Antagonists of the human adenosine A2A receptor. Part 3: Design and synthesis of pyrazolo[3,4-d]pyrimidines, pyrrolo[2,3-d]pyrimidines and 6-arylpurines

Recommendations for evaluation of computational methods

Extended-connectivity fingerprints

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

The structure and function of G-protein-coupled receptors

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8195-206

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499153

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10.1021/JM2011589

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23

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54

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Vsevolod Katritch

Albert Kooistra

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2011-12-08T00:00:00Z

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51728277

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22007643

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crystal structure

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3228891

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