GPCR 3D homology models for ligand screening: Lessons learned from blind predictions of adenosine A2a receptor complex

Consistent Improvement of Cross-Docking Results Using Binding Site Ensembles Generated with Elastic Network Normal Modes

(2009) Manuel Rueda et al.   Journal of Chemical Information and Modeling

Identifying conformational changes of the β2 adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators

(2009) Kimberly A. Reynolds et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Analysis of full and partial agonists binding to β2-adrenergic receptor suggests a role of transmembrane helix V in agonist-specific conformational changes

(2009) Vsevolod Katritch et al.   JOURNAL OF MOLECULAR RECOGNITION

Discovery of New GPCR Biology: One Receptor Structure at a Time

(2009) Michael A. Hanson et al.   STRUCTURE

A2A Adenosine Receptor and its Modulators: Overview on a Druggable GPCR and on Structure-Activity Relationship Analysis and Binding Requirements of Agonists and Antagonists

(2008) G. Cristalli et al.   CURRENT PHARMACEUTICAL DESIGN

Linear and Nonlinear 3D-QSAR Approaches in Tandem with Ligand-Based Homology Modeling as a Computational Strategy To Depict the Pyrazolo-Triazolo-Pyrimidine Antagonists Binding Site of the Human Adenosine A2AReceptor

(2008) Lisa Michielan et al.   Journal of Chemical Information and Modeling

Selective Structure-Based Virtual Screening for Full and Partial Agonists of the β2 Adrenergic Receptor

(2008) Chris de Graaf et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of Novel Chemotypes to a G-Protein-Coupled Receptor through Ligand-Steered Homology Modeling and Structure-Based Virtual Screening

(2008) Claudio N. Cavasotto et al.   JOURNAL OF MEDICINAL CHEMISTRY

Four-Dimensional Docking: A Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking

(2008) Giovanni Bottegoni et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

(2008) Tony Warne et al.   NATURE

Structural diversity of G protein-coupled receptors and significance for drug discovery

(2008) Malin C. Lagerström et al.   NATURE REVIEWS DRUG DISCOVERY

The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist

(2008) V.-P. Jaakola et al.   SCIENCE

New G-protein-coupled receptor crystal structures: insights and limitations

(2008) B KOBILKA et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening

(2007) Chris de Graaf et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS