1997-09--2000-07 PhD: Shanghai Institute of Materia Medica, Chinese Academy of Sciences
1994-09--1997-07 Master's Degree: Department of Chemistry, East China Normal University
1990-09--1994-07 Bachelor's Degree: Department of Chemistry, East China Normal University
2005-08~Present - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Researcher
2002-03~2005-07 - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Associate Researcher
2000-07~2002-02 - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Assistant Researcher
Important Pharmacological Target Kinetics Behavior (2007): Second Prize, National Level
Biomolecular Simulation Based on Supercomputer (2003): First Prize, Provincial Level
Research
Drug Design Cheminformatics
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
Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement, PHARMACEUTICS, 2022
Drug target inference by mining transcriptional data using a novel graph convolutional network framework, PROTEIN & CELL, 2022
Active Learning for Drug Design: A Case Study on the Plasma Exposure of Orally Administered Drugs, JOURNAL OF MEDICINAL CHEMISTRY, 2021
Discovery of thalidomide-based PROTAC small molecules as the highly efficient SHP2 degraders, EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021
Discovery of Cyclic Peptidomimetic Ligands Targeting the Extracellular Domain of EGFR, JOURNAL OF MEDICINAL CHEMISTRY, 2021
Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening, BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2021
DrugSpaceX: a large screenable and synthetically tractable database extending drug space, NUCLEIC ACIDS RESEARCH, 2021
Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t(RORγt)modulators:insights into different protein behaviors with\"short\"and\"long\"inverse agonists, 中国药理学报:英文版, 2021
Drug target inference by mining transcriptional data using a novel graph convolutional network framework, PROTEIN & CELL, 2021
Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t (ROR gamma t) modulators: insights into different protein behaviors with \"short\" and \"long\" inverse agonists, ACTA PHARMACOLOGICA SINICA, 2021
Identification of novel anti-inflammatory Nur77 modulators by virtual screening, BIOORGANIC CHEMISTRY, 2021
Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model, JOURNAL OF MEDICINAL CHEMISTRY, 2020
Analysis of Four Types of Leukemia Using Gene Ontology Term and Kyoto Encyclopedia of Genes and Genomes Pathway Enrichment Scores, COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2020
Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism, JOURNAL OF MEDICINAL CHEMISTRY, 2020
Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups, FUTURE MEDICINAL CHEMISTRY, 2020
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments, BIOINFORMATICS, 2020
Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki-Miyaura cross-coupling reaction, ORGANIC CHEMISTRY FRONTIERS, 2020
Bioactivity Prediction Based on Matched Molecular Pair and Matched Molecular Series Methods, CURRENT PHARMACEUTICAL DESIGN, 2020
Regioselective synthesis of substituted thiazoles via cascade reactions from 3-chlorochromones and thioamides (vol 18, pg 6162, 2020), ORGANIC & BIOMOLECULAR CHEMISTRY, 2020
Machine-Learning-Guided Cocrystal Prediction Based on Large Data Base, CRYSTAL GROWTH & DESIGN, 2020
Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity, JOURNAL OF NATURAL PRODUCTS, 2020
Regioselective synthesis of substituted thiazoles via cascade reactions from 3-chlorochromones and thioamides, ORGANIC & BIOMOLECULAR CHEMISTRY, 2020
Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods, FRONTIERS IN PHARMACOLOGY, 2019
Development of drug design in China:40 years of achievements, 中国科学:生命科学, 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
Discovery of betulinaldehyde as a natural ROR��t agonist, FITOTERAPIA, 2019
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules, BIOINFORMATICS, 2019
Discovery of betulinaldehyde as a natural ROR gamma t agonist, FITOTERAPIA, 2019
Artificial intelligence in drug design, 中国科学：生命科学英文版, 2018
Computational chemical biology and drug design: facilitating protein structure, function, and modulation studies, MEDICINAL RESEARCH REVIEWS, 2018
Discovery of Novel Inhibitors of Indoleamine 2,3-Dioxygenase 1 Through Structure-Based Virtual Screening, FRONTIERS IN PHARMACOLOGY, 2018
Artificial intelligence in drug design, SCIENCE CHINA-LIFE SCIENCES, 2018
Design, synthesis and biological evaluation of novel alpha-hederagenin derivatives with anticancer activity, EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2017
Discovery and optimization of selective inhibitors of protein arginine methyltransferase 5 by docking-based virtual screening, ORGANIC & BIOMOLECULAR CHEMISTRY, 2017
Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: A Combined Computational and Experimental Study, JOURNAL OF MEDICINAL CHEMISTRY, 2017
In Silico Prediction of Chemical Toxicity Profile Using Local Lazy Learning, COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2017
Predicting hepatotoxicity of drug metabolites via an ensemble approach based on support vector machine, COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2017
药源性急性肾损伤的关联靶标预测, 2016-01-01
Estimation of elimination half-lives of organic chemicals in humans using gradient boosting machine, BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2016
Identification and biochemical characterization of DC07090 as a novel potent small molecule inhibitor against human enterovirus 71 3C protease by structure-based virtual screening, EUROPEANJOURNALOFMEDICINALCHEMISTRY, 2016
科研信息化助力合理药物设计新发展, 中国科学院院刊, 2016
Discovery of novel inhibitors targeting the menin-mixed lineage leukemia interface using pharmacophore- and docking-based virtual screening, JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2016
Analysis of a Drug Target-Based Classification System Using Molecular Descriptors, COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2016
In silico ADME/T modelling for rational drug design, QUARTERLY REVIEWS OF BIOPHYSICS, 2015
A Genetic Algorithm Based Support Vector Machine Model for Blood-Brain Barrier Penetration Prediction, BIOMED RESEARCH INTERNATIONAL, 2015
TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds, BIOINFORMATICS, 2015
Policresulen, a novel NS2B/NS3 protease inhibitor, effectively inhibits the replication of DENV2 virus in BHK-21 cells, ACTA PHARMACOLOGICA SINICA
Keywords
Drug DesignCheminformaticsPharmacologyComputational BiologyMolecular ModelingBioinformaticsMedicinal ChemistryProtein-Ligand InteractionsVirtual ScreeningDrug Discovery
