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Author

Jike Wang

Observed names: J. Wang, Wang, Jike, Wang,Jike
Observed institutions: University of Pittsburgh, Xuzhou Medical College, Wuhan University, NARI Group (China), First Affiliated Hospital Zhejiang University, Zhejiang University
ORCID: 0000-0002-8118-8572
Observed ORCID: 0000-0002-8118-8572
OpenAlex ID: A5101848725
InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions
2021 · Dejun Jiang, Chang-Yu Hsieh, et al. · Journal of Medicinal Chemistry · 273
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking
2023 · Zhenxing Wu, Jike Wang, et al. · Nature Communications · 217
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Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning
2021 · Jike Wang, Chang-Yu Hsieh, et al. · Nature Machine Intelligence · 200
Deep learning approaches for de novo drug design: An overview
2021 · Mingyang Wang, Zhe Wang, et al. · Current Opinion in Structural Biology · 159
Discovery of antimicrobial peptides with notable antibacterial potency by an LLM-based foundation model
2025 · Jike Wang, Jianwen Feng, et al. · Science Advances · 136
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AI‐Guided Design of Antimicrobial Peptide Hydrogels for Precise Treatment of Drug‐resistant Bacterial Infections
2025 · Zhihui Jiang, Jianwen Feng, et al. · Advanced Materials · 123
Graph Neural Networks in Modern AI-Aided Drug Discovery
2025 · Odin Zhang, Haitao Lin, et al. · Chemical Reviews · 111
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Mining Toxicity Information from Large Amounts of Toxicity Data
2021 · Zhenxing Wu, Dejun Jiang, et al. · Journal of Medicinal Chemistry · 111
RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design
2022 · Mingyang Wang, Chang-Yu Hsieh, et al. · Journal of Medicinal Chemistry · 106
Knowledge-based BERT: a method to extract molecular features like computational chemists
2022 · Zhenxing Wu, Dejun Jiang, et al. · Briefings in Bioinformatics · 92
Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism
2022 · Jiahui Yu, Jike Wang, et al. · Journal of Chemical Information and Modeling · 73
Leveraging language model for advanced multiproperty molecular optimization via prompt engineering
2024 · Zhenxing Wu, Odin Zhang, et al. · Nature Machine Intelligence · 53
DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery
2024 · Chao Shen, Jianfei Song, et al. · Journal of Chemical Information and Modeling · 53
HawkDock version 2: an updated web server to predict and analyze the structures of protein–protein complexes
2025 · Xujun Zhang, Linlong Jiang, et al. · Nucleic Acids Research · 52
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Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites
2024 · Xiaorui Wang, Xiaodan Yin, et al. · Nature Communications · 48
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How Good Are Current Docking Programs at Nucleic Acid–Ligand Docking? A Comprehensive Evaluation
2023 · Dejun Jiang, Huifeng Zhao, et al. · Journal of Chemical Theory and Computation · 48
3DSMILES-GPT: 3D molecular pocket-based generation with token-only large language model
2024 · Jike Wang, Hao Luo, et al. · Chemical Science · 45
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ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learning
2024 · Mingyang Wang, Shuai Li, et al. · Nature Communications · 43
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Token-Mol 1.0: tokenized drug design with large language models
2025 · Jike Wang, Rui Qin, et al. · Nature Communications · 42
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DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges
2020 · Jike Wang, Dongsheng Cao, et al. · Briefings in Bioinformatics · 42
Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA–ligand complexes
2024 · Dejun Jiang, Hongyan Du, et al. · Physical Chemistry Chemical Physics · 38
FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization
2023 · Jieyu Jin, Dong Wang, et al. · Journal of Medicinal Chemistry · 38
Generic Interpretable Reaction Condition Predictions with Open Reaction Condition Datasets and Unsupervised Learning of Reaction Center
2023 · Xiaorui Wang, Chang-Yu Hsieh, et al. · Research · 38
Biology-driven insights into the power of single-cell foundation models
2025 · Jialu Wu, Qing Ye, et al. · Genome biology · 37
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AttABseq: an attention-based deep learning prediction method for antigen–antibody binding affinity changes based on protein sequences
2024 · Ruofan Jin, Qing Ye, et al. · Briefings in Bioinformatics · 34
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Works count: 76
Citation count: 2,684
H-index: 30
I10-index: 44
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