Peidong Zhang

SpecLig generates target-specific ligands with high affinity and specificity by integrating hierarchical modeling and energy guidance, improving therapeutic potential and reducing off-target risks.

This paper introduces UdanDTI, a deep-learning model for drug-target interaction prediction that addresses the drug-bias trap, showing improved accuracy and interpretability across datasets and EGFR mutation subgroups.

This paper introduces Rag2Mol methods for structure-based drug design using retrieval-augmented generation, producing drug candidates with better binding affinities and drug-likeness than existing models.

This paper introduces QATEN, a graph neural network-based method for assessing protein decoy quality, showing improved performance on high-accuracy structures compared to existing methods.