Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …

As one of the most successful therapeutic target families, G protein-coupled receptors
(GPCRs) have experienced a transformation from random ligand screening to knowledge …

G protein–coupled receptors (GPCRs) constitute the largest family of membrane proteins in
the human genome and are important therapeutic targets. During the last decade, the …

Abstract Structure-based virtual ligand screening is emerging as a key paradigm for early
drug discovery owing to the availability of high-resolution target structures,,–and ultra-large …

The family of G‐protein coupled receptors (GPCRs) is one of the largest protein families in
the human genome. GPCRs transduct chemical signals from extracellular to intracellular …

Cannabinoid receptors (CB1 and CB2), as part of the endocannabinoid system, play a
critical role in numerous human physiological and pathological conditions. Thus …

Generative molecular design for drug discovery and development has seen a recent
resurgence promising to improve the efficiency of the design-make-test-analyse cycle; by …

G-protein-coupled receptors (GPCRs) represent a ubiquitous membrane protein family and
are important drug targets. Their diverse signaling pathways are driven by complex …

Trace-amine-associated receptors (TAARs), a group of biogenic amine receptors, have
essential roles in neurological and metabolic homeostasis. They recognize diverse …

G protein-coupled receptors (GPCRs) are the largest single family of cell surface receptors
encoded by the human genome and they play pivotal roles in co-ordinating cellular systems …