Peter Gmeiner

This study systematically evaluates the effectiveness of random small perturbations in ligand optimization, finding 11.2% of analogs improved potency by ≥10-fold but often had worse pharmacokinetics.

This study uses single-molecule imaging to show how agonist-specific dynamics in structured and disordered regions of the 2AAR regulate signaling and function.

This study identifies structural features determining G protein coupling specificity at a class A GPCR using a Gi-biased agonist.

The paper reveals the cryo-EM structure of hTAS2R14 bound to FFA and gustducin, showing dual binding pockets and supporting a dual binding mode for FFA.

The paper identifies ST171, a selective 5-HT1A receptor agonist effective in pain models without sedation, and elucidates its mechanism through structural and computational analysis.

The paper identifies novel CFTR modulators using molecular docking, electrophysiology, cryo-EM, and medicinal chemistry, discovering potentiators and inhibitors with mid-nanomolar activity.

The paper discovers new ligands for the promiscuous TAS2R14 bitter taste receptor using a mixed experimental and computational approach, identifying 10 antagonists and 200 agonists.