Mechanism of intracellular allosteric β2AR antagonist revealed by X-ray crystal structure

Allosteric “beta-blocker” isolated from a DNA-encoded small molecule library

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Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists

(2016) Yi Zheng et al.   NATURE

Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation

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Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning

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Structural insights into µ-opioid receptor activation

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Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser

(2015) Yanyong Kang et al.   NATURE

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(2015) Eugene Krissinel   NUCLEIC ACIDS RESEARCH

Insights into the Role of Asp792.50 in β2 Adrenergic Receptor Activation from Molecular Dynamics Simulations

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Divergent Transducer-specific Molecular Efficacies Generate Biased Agonism at a G Protein-coupled Receptor (GPCR)

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Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

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Inclusion of Many-Body Effects in the Additive CHARMM Protein CMAP Potential Results in Enhanced Cooperativity of α-Helix and β-Hairpin Formation

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Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

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Structure of a nanobody-stabilized active state of the β2 adrenoceptor

(2011) Søren G. F. Rasmussen et al.   NATURE

Crystal structure of the β2 adrenergic receptor–Gs protein complex

(2011) Søren G. F. Rasmussen et al.   NATURE

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Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

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MolProbity: all-atom structure validation for macromolecular crystallography

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Crystallizing membrane proteins using lipidic mesophases

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