Dejun Jiang

According to our database, Dejun Jiang authored at least 25 papers between 2020 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Comprehensive Evaluation of End-Point Free Energy Methods in DNA-Ligand Interaction Predictions.

Cuiyu Li, Hongyan Du, Chengwei Zhang, Wanying Huang, Xujun Zhang, Tianyue Wang, Dejun Jiang, Tingjun Hou, Ercheng Wang

J. Chem. Inf. Model., 2025

2024

Leveraging language model for advanced multiproperty molecular optimization via prompt engineering.

Zhenxing Wu, Odin Zhang, Xiaorui Wang, Li Fu, Huifeng Zhao, Jike Wang, Hongyan Du, Dejun Jiang, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Tingjun Hou

Nat. Mac. Intell., 2024

Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes.

Huifeng Zhao, Dejun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Tingjun Hou, Yu Kang

J. Chem. Inf. Model., 2024

DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery.

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, Dejun Jiang, Mingyang Wang, Qing Ye, Jialu Wu, Hongyan Du, Hui Shi, Yafeng Deng, Tingjun Hou

J. Chem. Inf. Model., 2024

Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence.

Teng-Zhi Long, Dejun Jiang, Shao-Hua Shi, You-Chao Deng, Wen-Xuan Wang, Dong-Sheng Cao

J. Chem. Inf. Model., 2024

TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides.

Nanqi Hong, Dejun Jiang, Zhe Wang, Huiyong Sun, Hao Luo, Lingjie Bao, Mingli Song, Yu Kang, Tingjun Hou

J. Chem. Inf. Model., 2024

Token-Mol 1.0: Tokenized drug design with large language model.

Jike Wang, Rui Qin, Mingyang Wang, Meijing Fang, Yangyang Zhang, Yuchen Zhu, Qun Su, Qiaolin Gou, Chao Shen, Odin Zhang, Zhenxing Wu, Dejun Jiang, Xujun Zhang, Huifeng Zhao, Xiaozhe Wan, Zhourui Wu, Liwei Liu, Yu Kang, Chang-Yu Hsieh, Tingjun Hou

CoRR, 2024

Deep Lead Optimization: Leveraging Generative AI for Structural Modification.

Odin Zhang, Haitao Lin, Hui Zhang, Huifeng Zhao, Yufei Huang, Yuansheng Huang, Dejun Jiang, Chang-Yu Hsieh, Peichen Pan, Tingjun Hou

CoRR, 2024

AttABseq: an attention-based deep learning prediction method for antigen-antibody binding affinity changes based on protein sequences.

Ruofan Jin, Qing Ye, Jike Wang, Zheng Cao, Dejun Jiang, Tianyue Wang, Yu Kang, Wanting Xu, Chang-Yu Hsieh, Tingjun Hou

Briefings Bioinform., 2024

PPFLOW: Target-Aware Peptide Design with Torsional Flow Matching.

Haitao Lin, Odin Zhang, Huifeng Zhao, Dejun Jiang, Lirong Wu, Zicheng Liu, Yufei Huang, Stan Z. Li

Proceedings of the Forty-first International Conference on Machine Learning, 2024

2023

TB-IECS: an accurate machine learning-based scoring function for virtual screening.

Xujun Zhang, Chao Shen, Dejun Jiang, Jintu Zhang, Qing Ye, Lei Xu, Tingjun Hou, Peichen Pan, Yu Kang

J. Cheminformatics, December, 2023

Landslide Monitoring along the Dadu River in Sichuan Based on Sentinel-1 Multi-Temporal InSAR.

Huibao Huang, Shujun Ju, Wei Duan, Dejun Jiang, Zhiliang Gao, Heng Liu

Sensors, April, 2023

Learning on topological surface and geometric structure for 3D molecular generation.

Odin Zhang, Tianyue Wang, Gaoqi Weng, Dejun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Peichen Pan, Yu Kang, Chang-Yu Hsieh, Tingjun Hou

Nat. Comput. Sci., 2023

Infinite Physical Monkey: Do Deep Learning Methods Really Perform Better in Conformation Generation?

Haotian Zhang, Jintu Zhang, Huifeng Zhao, Dejun Jiang, Yafeng Deng

CoRR, 2023

2022

An adaptive graph learning method for automated molecular interactions and properties predictions.

Yuquan Li, Chang-Yu Hsieh, Ruiqiang Lu, Xiaoqing Gong, Xiaorui Wang, Pengyong Li, Shuo Liu, Yanan Tian, Dejun Jiang, Jiaxian Yan, Qifeng Bai, Huanxiang Liu, Shengyu Zhang, Xiaojun Yao

Nat. Mach. Intell., 2022

Knowledge-based BERT: a method to extract molecular features like computational chemists.

Zhenxing Wu, Dejun Jiang, Jike Wang, Xujun Zhang, Hongyan Du, Lurong Pan, Chang-Yu Hsieh, Dongsheng Cao, Tingjun Hou

Briefings Bioinform., 2022

Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning.

Dejun Jiang, Huiyong Sun, Jike Wang, Chang-Yu Hsieh, Yuquan Li, Zhenxing Wu, Dong-Sheng Cao, Jian Wu, Tingjun Hou

Briefings Bioinform., 2022

2021

<i>DeepChargePredictor</i>: a web server for predicting QM-based atomic charges via <i>state-of-the-art</i> machine-learning algorithms.

Jike Wang, Huiyong Sun, Jiawen Chen, Dejun Jiang, Zhe Wang, Zhenxing Wu, Xi Chen, Dong-Sheng Cao, Tingjun Hou

Bioinform., November, 2021

Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning.

Jike Wang, Chang-Yu Hsieh, Mingyang Wang, Xiaorui Wang, Zhenxing Wu, Dejun Jiang, Benben Liao, Xujun Zhang, Bo Yang, Qiaojun He, Dongsheng Cao, Xi Chen, Tingjun Hou

Nat. Mach. Intell., 2021

VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations.

Ercheng Wang, Weitao Fu, Dejun Jiang, Huiyong Sun, Junmei Wang, Xujun Zhang, Gaoqi Weng, Hui Liu, Peng Tao, Tingjun Hou

J. Chem. Inf. Model., 2021

Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models.

Dejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, Guangyong Chen, Ben Liao, Zhe Wang, Chao Shen, Dong-Sheng Cao, Jian Wu, Tingjun Hou

J. Cheminformatics, 2021

Identification of active molecules against Mycobacterium tuberculosis through machine learning.

Qing Ye, Xin Chai, Dejun Jiang, Liu Yang, Chao Shen, Xujun Zhang, Dan Li, Dong-Sheng Cao, Tingjun Hou

Briefings Bioinform., 2021

Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets.

Zhenxing Wu, Minfeng Zhu, Yu Kang, Elaine Lai-Han Leung, Tailong Lei, Chao Shen, Dejun Jiang, Zhe Wang, Dong-Sheng Cao, Tingjun Hou

Briefings Bioinform., 2021

Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method.

Zhenxing Wu, Dejun Jiang, Chang-Yu Hsieh, Guangyong Chen, Ben Liao, Dong-Sheng Cao, Tingjun Hou

Briefings Bioinform., 2021

2020

ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning.

Dejun Jiang, Tailong Lei, Zhe Wang, Chao Shen, Dong-Sheng Cao, Tingjun Hou

J. Cheminformatics, 2020