Background Ensemble docking has proven useful in drug discovery and development. It
increases the hit rate by incorporating receptor flexibility into molecular docking as …

Crystal structures of G protein-coupled receptors (GPCRs) have recently revealed the
molecular basis of ligand binding and activation, which has provided exciting opportunities …

Despite being a target for about one-third of approved drugs, G protein-coupled receptors
(GPCRs) still represent a tremendous reservoir for therapeutic strategies against diseases …

Biological receptors respond to environmental changes through allosteric regulation. In G-
protein coupled receptors (GPCRs), the binding of ligands establishes chemical and …

G protein-coupled receptors (GPCRs) represent the target for approximately a third of FDA-
approved small molecule drugs. The adenosine A1 receptor (A1R), one of four adenosine …

Structures of G protein-coupled receptors (GPCRs) have a proven utility in the discovery of
new antagonists and inverse agonists modulating signaling of this important family of clinical …

The allosteric modulation of G protein-coupled receptors (GPCRs) by sodium ions has
received considerable attention as crystal structures of several receptors, in their inactive …

The progress made in the field of G protein-coupled receptors (GPCRs) structural
determination has increased the adoption of docking-driven approaches for the identification …

One of the major hurdles in the development of safe and effective drugs targeting G-protein
coupled receptors (GPCRs) is finding ligands that are highly selective for a specific receptor …

The growing availability of novel structures for several G protein-coupled receptors (GPCRs)
has provided new opportunities for structure-based drug design of ligands against this …