Xinchao Shi

This study fine-tunes an intracellular allosteric pocket of NTSR1 to program GPCR signaling bias, revealing how ligand modifications alter transducer coupling and downstream signaling.

NeoPep designs functional peptides de novo using a deep-learning framework that models biophysical principles, achieving high hit rates and structural accuracy across diverse targets.

This paper presents a quantum computing framework for drug discovery that improves stability and performance in multiple stages, identifying novel druggable sites and compounds.