Abstract by Binghan Xiao

More than a third of approved medicines act on G protein-coupled receptors (GPCRs), the proteins that let our cells sense hormones and neurotransmitters. As thousands of GPCR structures have been determined, the challenge has shifted from producing structures to making them useful. GPCRdb, an open online resource, turns them into reliable, searchable knowledge. This thesis modernises GPCRdb in three ways: an AI-assisted pipeline that annotates new structures while leaving uncertain cases to human experts, and which uncovered errors in existing records; a chemically informed method for identifying how drugs and signalling proteins bind receptors; and reproducible software that lets other scientists run the database themselves.