Learn how Free Energy Perturbation was used to accurately predict binding affinities for 30 ligands that bind to the lipid and GPCR interface in P2Y1.

G protein coupled receptors (GPCRs) are the most abundant receptor family encoded by the human genome. They are involved in all aspects of mammalian cellular life, and are extraordinarily diverse both ...

GPCRs are versatile cell-surface receptors that ... which is activated by bioorthogonal drugs and insensitive to native ligands. Bioorthogonal drugs can perform chemical reactions within living ...

They hoped that such a map would also contribute to basic biology by revealing which natural ligands several so-called ...