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Plos Computational Biology|August 17, 2023
Elucidation of genome-wide understudied proteins targeted by PROTAC-induced degradation using interpretable machine learningLi Xie, Lei XieBiorxiv : the Preprint Server for Biology|March 3, 2023
Elucidation of Genome-wide Understudied Proteins targeted by PROTAC-induced degradation using Interpretable Machine LearningLi Xie, Lei XieInternational Journal of Molecular Sciences|July 20, 2019
Pathway-Centric Structure-Based Multi-Target Compound Screening for Anti-Virulence Drug RepurposingLi Xie, Lei XieBioinformatics (Oxford, England)|May 30, 2009
A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discoveryLei Xie, Li Xie, Philip E BourneCurrent Opinion in Structural Biology|February 5, 2011
Structure-based systems biology for analyzing off-target bindingLei Xie, Li Xie, Philip E BourneJournal of Cheminformatics|May 21, 2026
Sequence-based drug-target binding site pre-training enables cryptic pocket detection and improves binding affinity and kinetics predictionShuo Zhang, Li Xie, Daniel Tiourine, et al.Biorxiv : the Preprint Server for Biology|June 9, 2023
Model Agnostic Semi-Supervised Meta-Learning Elucidates Understudied Out-of-distribution Molecular InteractionsYou Wu, Li Xie, Yang Liu, et al.Biorxiv : the Preprint Server for Biology|June 4, 2026
Sequence-based Drug-Target Binding Site Pre-training Enables Cryptic Pocket Detection and Improves Binding Affinity and Kinetics PredictionShuo Zhang, Li Xie, Daniel Tiourine, et al.Communications Biology|September 9, 2024
Semi-supervised meta-learning elucidates understudied molecular interactionsYou Wu, Li Xie, Yang Liu, et al.Nature Machine Intelligence|January 15, 2026
Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacologyAmitesh Badkul, Li Xie, Shuo Zhang, et al.Pageof 267