Areas of Focus
- Drug Design
- Traditional Chinese Medicine Pharmacology
Work Experience
- 2015-10 to Present - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Researcher
- 2008-10 to 2015-09 - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Associate Researcher
- 2006-07 to 2008-09 - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Assistant Researcher
Academic Background & Achievements
- 2001-09 to 2006-07 PhD: Shanghai Institute of Materia Medica, Chinese Academy of Sciences
- 1997-09 to 2001-07 Bachelor's Degree: Ocean University of China
Publications
- TG468: a text graph convolutional network for predicting clinical response to immune checkpoint inhibitor therapy, Briefings in Bioinformatics, 2024
- Targeting JMJD1C to selectively disrupt tumor Treg cell fitness enhances antitumor immunity., Nature Immunology, 2024
- Structural Optimization of Fibroblast Growth Factor Receptor Inhibitors for Treating Solid Tumors, JOURNAL OF MEDICINAL CHEMISTRY, 2023
- Computing the relative binding affinity of ligands based on a pairwise binding comparison network., Nature Computational Science, 2023
- Sequence-based drug design as a concept in computational drug design., Nature Communications, 2023
- Learning protein fitness landscapes with deep mutational scanning data from multiple sources., Cell Systems, 2023
- Targeting UHRF1-SAP30-MXD4 axis for leukemia initiating cell eradication in myeloid leukemia., Cell Research, 2022
- Drug target inference by mining transcriptional data using a novel graph convolutional network framework., Protein & Cell, 2022
- Graph neural network approaches for drug-target interactions, CURRENT OPINION IN STRUCTURAL BIOLOGY, 2022
- An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph, BRIEFINGS IN BIOINFORMATICS, 2022
- 人工智能技术在化学反应预测中的应用, 中国现代应用药学, 2022
- Discovery of the First-in-Class Agonist-Based SOS1 PROTACs Effective in Human Cancer Cells Harboring Various KRAS Mutations, JOURNAL OF MEDICINAL CHEMISTRY, 2022
- Discovery and identification of a novel small molecule BCL-2 inhibitor that binds to the BH4 domain, ACTA PHARMACOLOGICA SINICA, 2022
- Blood-brain barrier penetration prediction enhanced by uncertainty estimation, JOURNAL OF CHEMINFORMATICS, 2022
- 药物-靶点相互作用预测中的方法、数据及软件的发展现状, 中国现代应用药学, 2022
- Discovery of Pyrazolo3,4-dpyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation, JOURNAL OF MEDICINAL CHEMISTRY, 2022
- Drug target inference by mining transcriptional data using a novel graph convolutional network framework, PROTEIN & CELL, 2022
- Discovery of ARF1-targeting inhibitor demethylzeylasteral as a potential agent against breast cancer, ACTA PHARMACEUTICA SINICA B, 2022
- Discovery of Pyrazolo[3,4- d ]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation., J. Med. Chem., 2022
- Cytoplasmic DNA sensing by KU complex in aged CD4 + T cell potentiates T cell activation and aging-related autoimmune inflammation., Immunity, 2021
- DrugSpaceX: A large screenable and synthetically tractable database extending drug space., Nucleic Acids Research, 2021
- Design, synthesis and biological evaluation of pyrazolo3,4-dpyridazinone derivatives as covalent FGFR inhibitors, ACTA PHARMACEUTICA SINICA B, 2021
- 高价值数据挖掘与人工智能技术加速创新药物研发, 药学进展, 2021
- DrugSpaceX: a large screenable and synthetically tractable database extending drug space, NUCLEIC ACIDS RESEARCH, 2021
- Drug target inference by mining transcriptional data using a novel graph convolutional network framework, PROTEIN & CELL, 2021
- Ligand-Promoted Alkynylation of Aryl Ketones: A Practical Tool for Structural Diversity in Drugs and Natural Products, ACS CATALYSIS, 2021
- Graph neural networks for automated de novo drug design, DRUG DISCOVERY TODAY, 2021
- 中药在新冠肺炎防治中的应用和研究进展, 上海中医药大学学报, 2020
- Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki-Miyaura cross-coupling reaction, ORGANIC CHEMISTRY FRONTIERS, 2020
- Discovery of novel glyceraldehyde-3-phosphate dehydrogenase inhibitor via docking-based virtual screening, BIOORGANIC CHEMISTRY, 2020
- Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation, JOURNAL OF MEDICINAL CHEMISTRY, 2020
- Bioactivity Prediction Based on Matched Molecular Pair and Matched Molecular Series Methods, CURRENT PHARMACEUTICAL DESIGN, 2020
- Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model, JOURNAL OF MEDICINAL CHEMISTRY, 2020
- Solution-Phase DNA-Compatible Pictet-Spengler Reaction Aided by Machine Learning Building Block Filtering, ISCIENCE, 2020
- Discovery of triazoloquinoxaline as novel STING agonists via structure-based virtual screening, BIOORGANIC CHEMISTRY, 2020
- Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism, JOURNAL OF MEDICINAL CHEMISTRY, 2020
- 人工智能算法在药物细胞敏感性预测中的应用, 科学通报, 2020
- TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments, BIOINFORMATICS, 2020
- Discovery and characterization of natural products as novel indoleamine 2,3-dioxygenase 1 inhibitors through high-throughput screening, ACTA PHARMACOLOGICA SINICA, 2020
- Characterization of covalent binding of tyrosine kinase inhibitors to plasma proteins, DRUG METABOLISM AND PHARMACOKINETICS, 2020
- Automated design and optimization of multitarget schizophrenia drug candidates by deep learning, EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020
- Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors, JOURNAL OF MEDICINAL CHEMISTRY, 2020
- 中国药物分子设计40年发展成就, 中国科学:生命科学, 2019
- Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods, FRONTIERS IN PHARMACOLOGY, 2019
- Discovery and Development of a Series of Pyrazolo3,4-dpyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design, JOURNAL OF MEDICINAL CHEMISTRY, 2019
- Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family, FRONTIERS IN CHEMISTRY, 2019
- Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors, EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019
- Hydrolytic Metabolism of Cyanopyrrolidine DPP-4 Inhibitors Mediated by Dipeptidyl Peptidases, DRUGMETABOLISMANDDISPOSITION, 2019
- KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules, BIOINFORMATICS, 2019
Awards
- WuXi AppTec Life Chemistry Research Award (2021): Ministry-level
- Sanofi-Youth Talent Award of Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (2015): First Prize, Institute-level
- 17th Chinese Pharmaceutical Association-Servier Young Medicinal Chemist Award (2014): First Prize, Special
- Outstanding Young Scientific Worker of Shanghai Institute of Materia Medica (2013): First Prize, Institute-level
