Pharmacological proximities in the GPCR family discovered using contact-informed amino-acid and binding pocket similarities
Sean S. So, Tony Ngo, Andrey V. Ilatovskiy, Angela M. Finch, RF Riek, Ruben A Abagyan, Nicola J. Smith, Irina Kufareva
This paper introduces GPCR-CoINPocket v2, a method to detect pharmacological similarities in GPCRs using sequence and ligand interaction data, revealing new relationships and aiding drug discovery.
bioRxiv · May 6, 2026 · PreprintBioinformatics