Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening.
about
Computational methods in drug discoveryAdvancements in therapeutically targeting orphan GPCRsGeneric GPCR residue numbers - aligning topology maps while minding the gapsModelling three-dimensional protein structures for applications in drug design.Virtual ligand screening against comparative protein structure models.GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex.Ligand discovery from a dopamine D3 receptor homology model and crystal structureIdentifying conformational changes of the beta(2) adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulatorsMolecular docking screens using comparative models of proteinsCoMFA analyses of C-2 position salvinorin A analogs at the kappa-opioid receptor provides insights into epimer selectivity.Design and pharmacological characterization of VUF14480, a covalent partial agonist that interacts with cysteine 98(3.36) of the human histamine H₄ receptor.Structural Analysis of Chemokine Receptor-Ligand Interactions.Development of 7TM receptor-ligand complex models using ligand-biased, semi-empirical helix-bundle repacking in torsion space: application to the agonist interaction of the human dopamine D2 receptor.Successful prediction of the intra- and extracellular loops of four G-protein-coupled receptorsDifferential Virtual Screening (DVS) with Active and Inactive Molecular Models for Finding and Profiling GPCR Modulators: Case of the CCK1 Receptor.Crucial role of the orexin-B C-terminus in the induction of OX1 receptor-mediated apoptosis: analysis by alanine scanning, molecular modelling and site-directed mutagenesis.patGPCR: a multitemplate approach for improving 3D structure prediction of transmembrane helices of G-protein-coupled receptors.Conformationally constrained opioid ligands: the Dmt-Aba and Dmt-Aia versus Dmt-Tic scaffoldPharmacological modulation of chemokine receptor function.Molecular modeling of vasopressin receptor and in silico screening of V1b receptor antagonists.Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models.7TM Domain Structure of Adhesion GPCRs.Structural insight to mutation effects uncover a common allosteric site in class C GPCRsA structural chemogenomics analysis of aminergic GPCRs: lessons for histamine receptor ligand design.Opportunities for therapeutic antibodies directed at G-protein-coupled receptors.Structural mechanisms of constitutive activation in the C5a receptors with mutations in the extracellular loops: molecular modeling study.Role of extracellular cysteine residues in the adenosine A2A receptor.Three "hotspots" important for adenosine A(2B) receptor activation: a mutational analysis of transmembrane domains 4 and 5 and the second extracellular loopMonte Carlo loop refinement and virtual screening of the thyroid-stimulating hormone receptor transmembrane domain.Conserved disulfide bond is not essential for the adenosine A2A receptor: Extracellular cysteines influence receptor distribution within the cell and ligand-binding recognition.Molecular basis of agonist docking in a human GPR103 homology model by site-directed mutagenesis and structure-activity relationship studies.Toward the three-dimensional structure and lysophosphatidic acid binding characteristics of the LPA(4)/p2y(9)/GPR23 receptor: a homology modeling study.The rat adenine receptor: pharmacological characterization and mutagenesis studies to investigate its putative ligand binding site.Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors.Improving virtual screening of G protein-coupled receptors via ligand-directed modeling.Mapping histamine H4receptor–ligand binding modesIdentification of the first surrogate agonists for the G protein-coupled receptor GPR132Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H4 receptorStructure-Based Discovery of Allosteric Modulators of Two Related Class B G-Protein-Coupled ReceptorsIn Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions
P2860
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P2860
Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening.
description
2008 nî lūn-bûn
@nan
2008 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի մայիսին հրատարակված գիտական հոդված
@hy
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
name
Molecular modeling of the seco ...... cture-based virtual screening.
@ast
Molecular modeling of the seco ...... cture-based virtual screening.
@en
Molecular modeling of the seco ...... cture-based virtual screening.
@nl
type
label
Molecular modeling of the seco ...... cture-based virtual screening.
@ast
Molecular modeling of the seco ...... cture-based virtual screening.
@en
Molecular modeling of the seco ...... cture-based virtual screening.
@nl
prefLabel
Molecular modeling of the seco ...... cture-based virtual screening.
@ast
Molecular modeling of the seco ...... cture-based virtual screening.
@en
Molecular modeling of the seco ...... cture-based virtual screening.
@nl
P50
P356
P1433
P1476
Molecular modeling of the seco ...... cture-based virtual screening.
@en
P2093
Nicolas Foata
P304
P356
10.1002/PROT.21724
P407
P577
2008-05-01T00:00:00Z