Jiacheng Xiong

MetaReact predicts drug metabolites and enzyme selectivity using a reaction-aware Transformer, outperforming existing methods in accuracy and generalizability.

The paper introduces ConfSeq, a conformation description language for 3D molecular structures, enabling sequence-based modeling and achieving state-of-the-art results in 3D molecular tasks.

FAPM improves protein functional annotation by combining protein sequence and language models, outperforming sequence-only methods on benchmarks and phage proteins with few homologs.

PackDock predicts accurate protein-ligand complex conformations using a diffusion model for side-chain packing, validated through multiple docking experiments.

This study develops AOMP, a graph neural network for predicting AOX metabolism, outperforming benchmarks and identifying new scaffolds validated experimentally.