Lauren Therese May

PSICHIC+ is a bioactivity foundation model that predicts binding affinities from sequence data, improving hit identification and hit-to-lead optimization using heterogeneous bioactivity data.

The paper presents cryo-EM structures of the human A3 adenosine receptor in three functional states, revealing a unique activation mechanism and a cryptic binding pocket.

PSICHIC predicts protein-ligand interactions from sequence data using a physicochemical graph neural network, achieving state-of-the-art accuracy and interpretability in binding affinity and functional effect prediction.