GPCR structure, function, drug discovery and crystallography: report from Academia-Industry International Conference (UK Royal Society) Chicheley Hall, 1–2 September 2014

What can we learn from molecular dynamics simulations for GPCR drug design?

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GPCR structures in drug design, emerging opportunities with new structures

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Arrestin-3 binds the MAP kinase JNK3α2 via multiple sites on both domains

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The roles of computational chemistry in the ligand design of G protein-coupled receptors: how far have we come and what should we expect?

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Multiparameter Optimization in CNS Drug Discovery: Design of Pyrimido[4,5-d]azepines as Potent 5-Hydroxytryptamine 2C (5-HT2C) Receptor Agonists with Exquisite Functional Selectivity over 5-HT2A and 5-HT2B Receptors

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Biased Ligand Modulation of Seven Transmembrane Receptors (7TMRs): Functional Implications for Drug Discovery

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Molecular control of δ-opioid receptor signalling

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Preparation of microcrystals in lipidic cubic phase for serial femtosecond crystallography

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Structure-bias relationships for fenoterol stereoisomers in six molecular and cellular assays at the β2-adrenoceptor

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The 2.1 Å Resolution Structure of Cyanopindolol-Bound β1-Adrenoceptor Identifies an Intramembrane Na+ Ion that Stabilises the Ligand-Free Receptor

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Biased ligands at G-protein-coupled receptors: promise and progress

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Functional selectivity of G-protein-coupled receptors: From recombinant systems to native human cells

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Toward an Understanding of Agonist Binding to Human Orexin-1 and Orexin-2 Receptors with G-Protein-Coupled Receptor Modeling and Site-Directed Mutagenesis

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Optimising the combination of thermostabilising mutations in the neurotensin receptor for structure determination

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Critical Role of the Central 139-Loop in Stability and Binding Selectivity of Arrestin-1

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Accuracy Assessment and Automation of Free Energy Calculations for Drug Design

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Addressing Selective Polypharmacology of Antipsychotic Drugs Targeting the Bioaminergic Receptors through Receptor Dynamic Conformational Ensembles

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Fighting Obesity with a Sugar-Based Library: Discovery of Novel MCH-1R Antagonists by a New Computational–VAST Approach for Exploration of GPCR Binding Sites

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Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study

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Biophysical Fragment Screening of the β1-Adrenergic Receptor: Identification of High Affinity Arylpiperazine Leads Using Structure-Based Drug Design

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Molecular Basis for the Long Duration of Action and Kinetic Selectivity of Tiotropium for the Muscarinic M3 Receptor

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Synthesis and Structure–Activity Relationships of Indazole Arylsulfonamides as Allosteric CC-Chemokine Receptor 4 (CCR4) Antagonists

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Distinct CCK-2 Receptor Conformations Associated with β-Arrestin-2 Recruitment or Phospholipase-C Activation Revealed by a Biased Antagonist

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Minireview: Signal Bias, Allosterism, and Polymorphic Variation at the GLP-1R: Implications for Drug Discovery

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Polar transmembrane interactions drive formation of ligand-specific and signal pathway-biased family B G protein-coupled receptor conformations

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Structure of the CCR5 Chemokine Receptor-HIV Entry Inhibitor Maraviroc Complex

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Serial Femtosecond Crystallography of G Protein-Coupled Receptors

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Target validation using in-cell small molecule clickable imaging probes

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Study of Human Orexin-1 and -2 G-Protein-Coupled Receptors with Novel and Published Antagonists by Modeling, Molecular Dynamics Simulations, and Site-Directed Mutagenesis

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Manipulation of Very Few Receptor Discriminator Residues Greatly Enhances Receptor Specificity of Non-visual Arrestins

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Silent Scaffolds

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Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions

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A crystal clear solution for determining G-protein-coupled receptor structures

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Strategies to Discover Unexpected Targets for Drugs Active at G Protein–Coupled Receptors

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Challenges of drug discovery in novel target space. The discovery and evaluation of PF-3893787: A novel histamine H4 receptor antagonist

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Histamine and H1-antihistamines: Celebrating a century of progress

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Few Residues within an Extensive Binding Interface Drive Receptor Interaction and Determine the Specificity of Arrestin Proteins

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The Discovery of Phthalazinone-Based Human H1and H3Single-Ligand Antagonists Suitable for Intranasal Administration for the Treatment of Allergic Rhinitis

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Shielded Hydrogen Bonds as Structural Determinants of Binding Kinetics: Application in Drug Design

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Crystal structure of the β2 adrenergic receptor–Gs protein complex

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Antihistaminic, Anti-Inflammatory, and Antiallergic Properties of the Nonsedating Second-Generation Antihistamine Desloratadine: A Review of the Evidence

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Novel 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene analogues as potent and selective 5-HT2C agonists for the treatment of metabolic disorders

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A common intracellular allosteric binding site for antagonists of the CXCR2 receptor

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Regulation of Membrane Cholecystokinin-2 Receptor by Agonists Enables Classification of Partial Agonists as Biased Agonists

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Enhanced Arrestin Facilitates Recovery and Protects Rods Lacking Rhodopsin Phosphorylation

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Knowledge-Based Approach tode NovoDesign Using Reaction Vectors

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Predicting new molecular targets for known drugs

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Ligand binding and micro-switches in 7TM receptor structures

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