PROTAC-DB: an online database of PROTACs

Gaoqi Weng, Chao Shen, Dongsheng Cao, +7

Nucleic Acids Research

Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue–Atom Distance Likelihood Potential and Graph Transformer

Chao Shen, Xujun Zhang, Yafeng Deng, +6

Journal of Medicinal Chemistry

Protein-ligand Scoring FunctionsHit IdentificationBiomolecular Structure PredictionMolecular BiologyDocking-based Virtual Screening +16

Comprehensive Evaluation of Fourteen Docking Programs on Protein–Peptide Complexes

Gaoqi Weng, Junbo Gao, Zhe Wang, +5

Journal of Chemical Theory and Computation

CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors

Hongyan Du, Junbo Gao, Gaoqi Weng, +7

Nucleic Acids Research

Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism

Jiahui Yu, Jike Wang, Hong Zhao, +5

Journal of Chemical Information and Modeling

The impact of cross-docked poses on performance of machine learning classifier for protein–ligand binding pose prediction

Chao Shen, Xueping Hu, Junbo Gao, +7

Journal of Cheminformatics

Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis

De-Bing Pu, Xing‐Jie Zhang, De‐Wen Bi, +3

Journal of Natural Products

Highly oxygenated lanostane-type triterpenoids and their bioactivity from the fruiting body of Ganoderma gibbosum

De-Bing Pu, Xi Zheng, Junbo Gao, +4

Fitoterapia

BiosynthesisBioorganic ChemistryBiochemistryMedicineNatural Sciences +8

Spatio‐temporal adaptive graph convolutional networks for traffic flow forecasting

Qiwei Ma, Wei Sun, Junbo Gao, +2

IET Intelligent Transport Systems

EngineeringMachine LearningTraffic FlowNetwork AnalysisIntelligent Traffic Management +15

Isolation, Characterization, and Structure–Activity Relationship Analysis of Abietane Diterpenoids from<i>Callicarpa bodinieri</i>as Spleen Tyrosine Kinase Inhibitors

Junbo Gao, Shuang-Jing Yang, Ziru Yan, +6

Journal of Natural Products