Xiaojun Yao

52PUBLICATIONS
50CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsProteomics and intermolecular interactions (excl. medical proteomics)Clinical pharmacology and therapeuticsBiomolecular modelling and designMolecular targets
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Publications (52)

|Aug 21, 2026
A Unified Hierarchical Multiscale Fusion Framework for Drug-Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery.

|Sep 30, 2025
Interpretable PROTAC Degradation Prediction With Structure-Informed Deep Ternary Attention Framework.

Zhenglu Chen, Chunbin Gu, Shuoyan Tan

|Nov 02, 2024
LRRK2 Inhibitors as Promising Treatment for Parkinson's Disease.

Shuoyan Tan, Huanxiang Liu, Xiaojun Yao

|Jul 10, 2024
Identification of novel LRRK2 inhibitors by structure-based virtual screening and alchemical free energy calculation.

Shuoyan Tan, Xiaoqing Gong, Huanxiang Liu

|Jun 24, 2024
Discovery of a Highly Potent and Selective BRD9 PROTAC Degrader Based on E3 Binder Investigation for the Treatment of Hematological Tumors.

Haiting Duan, Jingyu Zhang, Renzhao Gui

|Apr 26, 2024
Development of a Decafluorobiphenyl Cyclized Peptide Targeting the NEMO-IKKα/β Interaction that Enhances Cell Penetration and Attenuates Lipopolysaccharide-Induced Acute Lung Injury.

Shu Li, Shibo Song, Xiaojing Liu

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Frequent Collaborators

20 joint publications

Huanxiang Liu

5 joint publications

Tingjun Hou

4 joint publications

Jianguo Fang

4 joint publications

Yan Zhang