De-Jun Jiang (Dejun Jiang)

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 28

Top Topics

Molecular Dynamics Simulations

Top Venues

Journal of chemical information and modeling

Nature communications

Nature computational science

Journal of medicinal chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Xiaorui Wang, Xiaodan Yin, De-Jun Jiang, Huifeng Zhao, Zhenxing Wu, Odin Zhang, Jike Wang, Yuquan Li, Yafeng Deng, Huanxiang Liu, Pei Luo, Yuqiang Han, Ting-Jun Hou, Xiaojun Yao, Chang-Yu Hsieh
Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites. Nature communications 15 (1) (2024)
Chao Shen, Jianfei Song, Chang-Yu Hsieh, Dong-Sheng Cao, Yu Kang, Wenling Ye, Zhenxing Wu, Jike Wang, Odin Zhang, Xujun Zhang, Hao Zeng, Heng Cai, Yu Chen, Linkang Chen, Hao Luo, Xinda Zhao, Tianye Jian, Tong Chen, De-Jun Jiang, Mingyang Wang, Qing Ye, Jialu Wu, Hongyan Du, Hui Shi, Yafeng Deng, Ting-Jun Hou
DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery. Journal of chemical information and modeling 64 (14) (2024)
Teng-Zhi Long, De-Jun Jiang, Shao-Hua Shi, You-Chao Deng, Wen-Xuan Wang, Dong-Sheng Cao
Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence. Journal of chemical information and modeling 64 (8) (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling (2024)
Teng-Zhi Long, De-Jun Jiang, Shao-Hua Shi, You-Chao Deng, Wen-Xuan Wang, Dong-Sheng Cao
Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence. Journal of chemical information and modeling 64 (8) (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling 64 (6) (2024)
Teng-Zhi Long, De-Jun Jiang, Shao-Hua Shi, You-Chao Deng, Wen-Xuan Wang, Dong-Sheng Cao
Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence. Journal of chemical information and modeling 64 (8) (2024)
Teng-Zhi Long, De-Jun Jiang, Shao-Hua Shi, You-Chao Deng, Wen-Xuan Wang, Dong-Sheng Cao
Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence. Journal of chemical information and modeling 64 (8) (2024)
Nanqi Hong, De-Jun Jiang, Zhe Wang, Huiyong Sun, Hao Luo, Lingjie Bao, Mingli Song, Yu Kang, Ting-Jun Hou
TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides. Journal of chemical information and modeling 64 (13) (2024)
Chao Shen, Jianfei Song, Chang-Yu Hsieh, Dong-Sheng Cao, Yu Kang, Wenling Ye, Zhenxing Wu, Jike Wang, Odin Zhang, Xujun Zhang, Hao Zeng, Heng Cai, Yu Chen, Linkang Chen, Hao Luo, Xinda Zhao, Tianye Jian, Tong Chen, De-Jun Jiang, Mingyang Wang, Qing Ye, Jialu Wu, Hongyan Du, Hui Shi, Yafeng Deng, Ting-Jun Hou
DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery. Journal of chemical information and modeling (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling 64 (6) (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling 64 (6) (2024)
Xiaorui Wang, Xiaodan Yin, De-Jun Jiang, Huifeng Zhao, Zhenxing Wu, Odin Zhang, Jike Wang, Yuquan Li, Yafeng Deng, Huanxiang Liu, Pei Luo, Yuqiang Han, Ting-Jun Hou, Xiaojun Yao, Chang-Yu Hsieh
Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites. Nature communications 15 (1) (2024)
Nanqi Hong, De-Jun Jiang, Zhe Wang, Huiyong Sun, Hao Luo, Lingjie Bao, Mingli Song, Yu Kang, Ting-Jun Hou
TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides. Journal of chemical information and modeling (2024)
Teng-Zhi Long, De-Jun Jiang, Shao-Hua Shi, You-Chao Deng, Wen-Xuan Wang, Dong-Sheng Cao
Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence. Journal of chemical information and modeling (2024)
Zhenxing Wu, Jike Wang, Hongyan Du, De-Jun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, De-Jun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, De-Jun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, De-Jun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, De-Jun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Odin Zhang, Tianyue Wang, Gaoqi Weng, De-Jun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Peichen Pan, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Learning on topological surface and geometric structure for 3D molecular generation. Nature computational science 3 (10) (2023)
Odin Zhang, Tianyue Wang, Gaoqi Weng, De-Jun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Peichen Pan, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Learning on topological surface and geometric structure for 3D molecular generation. Nature computational science 3 (10) (2023)
De-Jun Jiang, Huifeng Zhao, Hongyan Du, Yafeng Deng, Zhenxing Wu, Jike Wang, Yundian Zeng, Haotian Zhang, Xiaorui Wang, Jian Wu, Chang-Yu Hsieh, Ting-Jun Hou
How Good Are Current Docking Programs at Nucleic Acid-Ligand Docking? A Comprehensive Evaluation. Journal of chemical theory and computation (2023)
Odin Zhang, Tianyue Wang, Gaoqi Weng, De-Jun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Peichen Pan, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Learning on topological surface and geometric structure for 3D molecular generation. Nature computational science 3 (10) (2023)
Xujun Zhang, Chao Shen, Ben Liao, De-Jun Jiang, Jike Wang, Zhenxing Wu, Hongyan Du, Tianyue Wang, Wenbo Huo, Lei Xu, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
TocoDecoy: A New Approach to Design Unbiased Datasets for Training and Benchmarking Machine-Learning Scoring Functions. Journal of medicinal chemistry 65 (11) (2022)
Zhenxing Wu, De-Jun Jiang, Jike Wang, Chang-Yu Hsieh, Dong-Sheng Cao, Ting-Jun Hou
Mining Toxicity Information from Large Amounts of Toxicity Data. Journal of medicinal chemistry 64 (10) (2021)
De-Jun Jiang, Chang-Yu Hsieh, Zhenxing Wu, Yu Kang, Jike Wang, Ercheng Wang, Ben Liao, Chao Shen, Lei Xu, Jian Wu, Dong-Sheng Cao, Ting-Jun Hou
InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions. Journal of medicinal chemistry (2021)
Ercheng Wang, Weitao Fu, De-Jun Jiang, Huiyong Sun, Junmei Wang, Xujun Zhang, Gaoqi Weng, Hui Liu, Peng Tao, Ting-Jun Hou
VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations. Journal of chemical information and modeling 61 (6) (2021)