Binding pathway determines norepinephrine selectivity for the human β1AR over β2AR

ZOO: an automatic data-collection system for high-throughput structure analysis in protein microcrystallography

(2019) Kunio Hirata et al.   Acta Crystallographica Section D-Structural Biology

Molecular basis for high-affinity agonist binding in GPCRs

(2019) Tony Warne et al.   SCIENCE

Promoting transparency and reproducibility in enhanced molecular simulations

(2019)   NATURE METHODS

KAMO: towards automated data processing for microcrystals

(2018) Keitaro Yamashita et al.   Acta Crystallographica Section D-Structural Biology

New Insights in Cardiac β-Adrenergic Signaling During Heart Failure and Aging

(2018) Claudio de Lucia et al.   Frontiers in Pharmacology

Structural insights into binding specificity, efficacy and bias of a β2AR partial agonist

(2018) Matthieu Masureel et al.   Nature Chemical Biology

An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands

(2017) Noureldin Saleh et al.   Journal of Chemical Information and Modeling

Binding Kinetics and Pathways of Ligands to GPCRs

(2017) Andrea Strasser et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Allosteric coupling from G protein to the agonist-binding pocket in GPCRs

(2016) Brian T. DeVree et al.   NATURE

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Adrenaline and Noradrenaline: Protectors against Oxidative Stress or Molecular Targets?

(2015) Ruslán Álvarez-Diduk et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2014) Anirudh Ranganathan et al.   BIOCHEMISTRY

Lipid14: The Amber Lipid Force Field

(2014) Callum J. Dickson et al.   Journal of Chemical Theory and Computation

Adrenergic Nervous System in Heart Failure

(2013) Anastasios Lymperopoulos et al.   CIRCULATION RESEARCH

PLUMED 2: New feathers for an old bird

(2013) Gareth A. Tribello et al.   COMPUTER PHYSICS COMMUNICATIONS

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Adrenaline-activated structure of β2-adrenoceptor stabilized by an engineered nanobody

(2013) Aaron M. Ring et al.   NATURE

Pathophysiological relevance of the cardiac β2-adrenergic receptor and its potential as a therapeutic target to improve cardiac function

(2012) Joaquín Pérez-Schindler et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

N-Terminal T4 Lysozyme Fusion Facilitates Crystallization of a G Protein Coupled Receptor

(2012) Yaozhong Zou et al.   PLoS One

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

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

Structure and function of an irreversible agonist-β2 adrenoceptor complex

(2011) Daniel M. Rosenbaum et al.   NATURE

Crystal structure of the β2 adrenergic receptor–Gs protein complex

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

Pathway and mechanism of drug binding to G-protein-coupled receptors

(2011) Ron O. Dror et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Theoretical models incorporating electron correlation

(2010) John A. Pople et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation

(2010) Maarten G. Wolf et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Full Pharmacological Analysis of the Three Turkey β-Adrenoceptors and Comparison with the Human β-Adrenoceptors

(2010) Jillian G. Baker   PLoS One

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Crystallizing membrane proteins using lipidic mesophases

(2009) Martin Caffrey et al.   Nature Protocols

Identification of two distinct inactive conformations of the  2-adrenergic receptor reconciles structural and biochemical observations

(2009) R. O. Dror et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure of a β1-adrenergic G-protein-coupled receptor

(2008) Tony Warne et al.   NATURE

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

(2008) Alessandro Barducci et al.   PHYSICAL REVIEW LETTERS