The growing number of studies on G protein-coupled receptors (GPCRs) family are a source
of noticeable improvement in our understanding of the functioning of these proteins. GPCRs …

Enrichment of ligands versus property-matched decoys is widely used to test and optimize
docking library screens. However, the unconstrained optimization of enrichment alone can …

The glucagon-like peptide 1 receptor (GLP-1R) is a member of the family (or class) B G-
protein-coupled receptor (GPCR). The receptor is a regulator of insulin and a key target in …

Docking calculations can accelerate drug discovery by predicting the bound poses of
ligands for a targeted protein. However, it is not clear which docking methods work best …

G protein-coupled receptors (GPCRs) are a large family of integral membrane proteins
responsible for cellular signal transductions. Identification of therapeutic compounds to …

G protein-coupled estrogen receptor-1 (GPER-1) is a seven transmembrane receptor,
responsible for mediating rapid estrogen signaling in many physiological responses in …

We report the first membrane protein–protein docking benchmark consisting of 37 targets of
diverse functions and folds. The structures were chosen based on a set of parameters such …

This study explores the computational discovery of non-peptide agonists targeting the
Glucagon-Like Peptide-1 Receptor (GLP-1R) to enhance the safety of major coronary …

Developing selective kinase inhibitors remains a formidable challenge in drug discovery
because of the highly conserved structural information on adenosine triphosphate (ATP) …

Five G protein-coupled receptors (GPCRs) have been identified to be activated by free fatty
acids (FFA). Among them, FFA1 (GPR40) and FFA4 (GPR120) bind long-chain fatty acids …