about
Structure of the human glucagon class B G-protein-coupled receptorDiazepam-bound GABAA receptor models identify new benzodiazepine binding-site ligandsCrystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptorA Molecular Pharmacologist's Guide to G Protein-Coupled Receptor CrystallographyAcetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptorsDiscovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal StructureGeneric GPCR residue numbers - aligning topology maps while minding the gapsConformational states of the full-length glucagon receptorStructural Determinants of Binding the Seven-transmembrane Domain of the Glucagon-like Peptide-1 Receptor (GLP-1R)Function-specific virtual screening for GPCR ligands using a combined scoring method11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.Structure of the full-length glucagon class B G-protein-coupled receptor.Small and colorful stones make beautiful mosaics: fragment-based chemogenomics.Binding of 7-methoxy-4-(aminomethyl)-coumarin to wild-type and W128F mutant cytochrome P450 2D6 studied by time-resolved fluorescence spectroscopyMolecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening.Fragment library screening reveals remarkable similarities between the G protein-coupled receptor histamine H₄ and the ion channel serotonin 5-HT₃A.A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design.Design and pharmacological characterization of VUF14480, a covalent partial agonist that interacts with cysteine 98(3.36) of the human histamine H₄ receptor.KLIFS: a knowledge-based structural database to navigate kinase-ligand interaction space.Insights into the structure of class B GPCRs.Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domainChemical subtleties in small-molecule modulation of peptide receptor function: the case of CXCR3 biaryl-type ligands.3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine.Structural Analysis of Chemokine Receptor-Ligand Interactions.From heptahelical bundle to hits from the Haystack: structure-based virtual screening for GPCR ligands.Altered spin state equilibrium in the T309V mutant of cytochrome P450 2D6: a spectroscopic and computational study.Cytochrome p450 in silico: an integrative modeling approach.Identification of Ligand Binding Hot Spots of the Histamine H1 Receptor following Structure-Based Fragment Optimization.Conformationally constrained opioid ligands: the Dmt-Aba and Dmt-Aia versus Dmt-Tic scaffoldCustomizing G Protein-coupled receptor models for structure-based virtual screening.Molecular determinants of selective agonist and antagonist binding to the histamine H₄ receptor.Pharmacological modulation of chemokine receptor function.Molecular pharmacology of histamine H4 receptors.From three-dimensional GPCR structure to rational ligand discovery.C(X)CR in silico: Computer-aided prediction of chemokine receptor-ligand interactions.The receptor concept in 3D: from hypothesis and metaphor to GPCR-ligand structures.Structure and Function of Peptide-Binding G Protein-Coupled Receptors.Classification, Nomenclature, and Structural Aspects of Adhesion GPCRs.PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design.
P50
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P50
description
Dutch chemist
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Hollandi keemik
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chimist olandez
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chimiste néerlandais
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Chris de Graaf
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P1053
J-8549-2017
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0000-0002-1226-2150
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PRS1320370