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.
about
New insights for drug design from the X-ray crystallographic structures of G-protein-coupled receptorsToward the discovery of vaccine adjuvants: coupling in silico screening and in vitro analysis of antagonist binding to human and mouse CCR4 receptorsComputational modeling-based discovery of novel classes of anti-inflammatory drugs that target lanthionine synthetase C-like protein 2Software and resources for computational medicinal chemistryInsights into the binding of Phenyltiocarbamide (PTC) agonist to its target human TAS2R38 bitter receptorEvaluation of homology modeling of G-protein-coupled receptors in light of the A(2A) adenosine receptor crystallographic structure.Unraveling the structure and function of G protein-coupled receptors through NMR spectroscopy.Homology modeling a fast tool for drug discovery: current perspectives.Scents and sense: in silico perspectives on olfactory receptors.Identifying conformational changes of the beta(2) adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulatorsComputing highly correlated positions using mutual information and graph theory for G protein-coupled receptors.Comparative sequence and structural analyses of G-protein-coupled receptor crystal structures and implications for molecular models.Forced unbinding of GPR17 ligands from wild type and R255I mutant receptor models through a computational approach.Rhodopsin and the others: a historical perspective on structural studies of G protein-coupled receptors.Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the beta(2)-adrenergic receptorIncreasingly accurate dynamic molecular models of G-protein coupled receptor oligomers: Panacea or Pandora's box for novel drug discovery?Modern homology modeling of G-protein coupled receptors: which structural template to use?Structure and function of G protein-coupled receptors using NMR spectroscopy.Functionalized congeners of P2Y1 receptor antagonists: 2-alkynyl (N)-methanocarba 2'-deoxyadenosine 3',5'-bisphosphate analogues and conjugation to a polyamidoamine (PAMAM) dendrimer carrier.Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?From laptop to benchtop to bedside: structure-based drug design on protein targets.Structural insights into human GPCR protein OA1: a computational perspective.Interaction of novel hybrid compounds with the D3 dopamine receptor: Site-directed mutagenesis and homology modeling studiesModeling G Protein-Coupled Receptors: a Concrete PossibilityDocking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models.Computational studies to predict or explain G protein coupled receptor polypharmacologyIn silico analysis of the binding of agonists and blockers to the β2-adrenergic receptor.Progress in elucidating the structural and dynamic character of G Protein-Coupled Receptor oligomers for use in drug discovery.Current progress in Structure-Based Rational Drug Design marks a new mindset in drug discoveryHomology Model Versus X-ray Structure in Receptor-based Drug Design: A Retrospective Analysis with the Dopamine D3 Receptor.Human coronavirus OC43 3CL protease and the potential of ML188 as a broad-spectrum lead compound: homology modelling and molecular dynamic studies.In silico screening for agonists and blockers of the β(2) adrenergic receptor: implications of inactive and activated state structuresStructural aspects of M₃ muscarinic acetylcholine receptor dimer formation and activationHomology modeling of class a G protein-coupled receptorsDifferential Virtual Screening (DVS) with Active and Inactive Molecular Models for Finding and Profiling GPCR Modulators: Case of the CCK1 Receptor.Life beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors.Predicting the biological activities through QSAR analysis and docking-based scoring.Probing GPCR structure: adenosine and P2Y nucleotide receptors.Structure and activation of rhodopsin.Two arginine-glutamate ionic locks near the extracellular surface of FFAR1 gate receptor activation.
P2860
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P2860
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.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
2008年论文
@zh
2008年论文
@zh-cn
name
On the applicability of GPCR h ...... the beta2-adrenergic receptor.
@ast
On the applicability of GPCR h ...... the beta2-adrenergic receptor.
@en
type
label
On the applicability of GPCR h ...... the beta2-adrenergic receptor.
@ast
On the applicability of GPCR h ...... the beta2-adrenergic receptor.
@en
prefLabel
On the applicability of GPCR h ...... the beta2-adrenergic receptor.
@ast
On the applicability of GPCR h ...... the beta2-adrenergic receptor.
@en
P2860
P356
P1476
On the applicability of GPCR h ...... the beta2-adrenergic receptor
@en
P2093
Stefano Costanzi
P2860
P304
P356
10.1021/JM800044K
P407
P577
2008-04-29T00:00:00Z