Benjamin J. Orlando

This paper determines the cryo-EM structure of CbrA, revealing its SLC5-STAC domains and how CbrX interacts with the transporter, providing insights into histidine transport and signaling mechanisms.

This study identifies three binding sites of a small molecule activator on Neurolysin using MD simulations and Markov state modeling, revealing how these sites modulate conformational dynamics and catalytic activity.

This paper determines the cryo-EM structure of human PGT and identifies disulfide bonds critical for its function and post-translational modifications.

This paper introduces HOLIgraph, a graph neural network model that predicts OATP1B1 inhibitors by integrating ligand features and protein-ligand interactions, achieving over 90% balanced accuracy.