Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?

Recent highly expected structural characterizations of agonist‐bound and antagonist‐bound beta‐2 adrenoreceptor (β2AR) by X‐ray crystallography have been widely regarded as critical advances to enable more effective structure‐based discovery of GPCRs ligands. It appears that this very important deve...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Proteins, structure, function, and bioinformatics structure, function, and bioinformatics, 2012-06, Vol.80 (6), p.1503-1521
Hauptverfasser:	Tang, Hao, Wang, Xiang Simon, Hsieh, Jui-Hua, Tropsha, Alexander
Format:	Artikel
Sprache:	eng
Schlagworte:	Adrenergic beta-2 Receptor Agonists - chemistry Adrenergic beta-2 Receptor Agonists - metabolism Adrenergic beta-2 Receptor Antagonists - chemistry Adrenergic beta-2 Receptor Antagonists - metabolism agonist-bound Amino Acid Sequence antagonist-bound antagonist‐bound molecular docking beta-2 adrenoreceptor Binding Sites Cluster Analysis Computational Biology - methods crystallography Crystallography, X-Ray Drug Discovery enrichment factor GPCRs modeling Humans Models, Molecular molecular docking Molecular Dynamics Simulation Molecular Sequence Data Receptors, Adrenergic, beta-2 - chemistry Receptors, Adrenergic, beta-2 - metabolism Receptors, G-Protein-Coupled - chemistry Receptors, G-Protein-Coupled - metabolism ROC Curve Sequence Alignment
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!