Xujun Zhang

32 papers C 1Journal 30Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
Benchmarking AI-powered docking methods from the perspective of virtual screening.
Nat. Mac. Intell.
Shukai Gu, Chao Shen, Xujun Zhang, Huiyong Sun, Heng Cai, Hao Luo, Huifeng Zhao, Bo Liu, Hongyan Du, Yihao Zhao, Chenggong Fu, Silong Zhai, Yafeng Deng, Huanxiang Liu, Tingjun Hou, Yu Kang
2025 J jnl
BioScore: A Foundational Scoring Function For Diverse Biomolecular Complexes.
CoRR
Yuchen Zhu, Jihong Chen, Yitong Li, Xiaomin Fang, Xianbin Ye, Jingzhou He, Xujun Zhang, Jingxuan Ge, Chao Shen, Xiaonan Zhang, Tingjun Hou, Chang-Yu Hsieh
2025 J jnl
ChargeNet: E(3) Equivariant Graph Attention Network for Atomic Charge Prediction.
J. Chem. Inf. Model.
Qiaolin Gou, Qun Su, Jike Wang, Hui Zhang, Huiyong Sun, Xujun Zhang, Linlong Jiang, Meijing Fang, Yu Kang, Huanxiang Liu, Tingjun Hou, Chang-Yu Hsieh
2025 J jnl
Comprehensive Evaluation of End-Point Free Energy Methods in DNA-Ligand Interaction Predictions.
J. Chem. Inf. Model.
Cuiyu Li, Hongyan Du, Chengwei Zhang, Wanying Huang, Xujun Zhang, Tianyue Wang, Dejun Jiang, Tingjun Hou, Ercheng Wang
2025 J jnl
Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein.
Nat. Mac. Intell.
Shicheng Chen, Odin Zhang, Chenran Jiang, Huifeng Zhao, Xujun Zhang, Mengting Chen, Yun Liu, Qun Su, Zhenxing Wu, Xinyue Wang, Wanglin Qu, Yuanyi Ye, Xin Chai, Ning Wang, Tianyue Wang, Yuan An, Guanlin Wu, Qianqian Yang, Jiean Chen, Wei Xie, Haitao Lin, Dan Li, Chang-Yu Hsieh, Yong Huang, Yu Kang, Tingjun Hou, Peichen Pan
2025 J jnl
ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design.
Nat. Comput. Sci.
Odin Zhang, Jieyu Jin, Zhenxing Wu, Jintu Zhang, Po Yuan, Yuntao Yu, Haitao Lin, Haiyang Zhong, Xujun Zhang, Chenqing Hua, Weibo Zhao, Zhengshuo Zhang, Kejun Ying, Yufei Huang, Huifeng Zhao, Yu Kang, Peichen Pan, Jike Wang, Dong Guo, Shuangjia Zheng, Chang-Yu Hsieh, Tingjun Hou
2025 J jnl
Graph Neural Networks in Modern AI-aided Drug Discovery.
CoRR
Odin Zhang, Haitao Lin, Xujun Zhang, Xiaorui Wang, Zhenxing Wu, Qing Ye, Weibo Zhao, Jike Wang, Kejun Ying, Yu Kang, Chang-Yu Hsieh, Tingjun Hou
2024 J jnl
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes.
J. Chem. Inf. Model.
Huifeng Zhao, Dejun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Tingjun Hou, Yu Kang
2024 J jnl
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency.
Briefings Bioinform.
Tianyue Wang, Langcheng Wang, Xujun Zhang, Chao Shen, Odin Zhang, Jike Wang, Jialu Wu, Ruofan Jin, Donghao Zhou, Shicheng Chen, Liwei Liu, Xiaorui Wang, Chang-Yu Hsieh, Guangyong Chen, Peichen Pan, Yu Kang, Tingjun Hou
2024 J jnl
Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation.
CoRR
Odin Zhang, Yufei Huang, Shichen Cheng, Mengyao Yu, Xujun Zhang, Haitao Lin, Yundian Zeng, Mingyang Wang, Zhenxing Wu, Huifeng Zhao, Zaixi Zhang, Chenqing Hua, Yu Kang, Sunliang Cui, Peichen Pan, Chang-Yu Hsieh, Tingjun Hou
2024 J jnl
DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery.
J. Chem. Inf. Model.
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
2024 — conf
Successful Practice of Cultivating New Quality Productivity: Innovative Combination of Technical Parameters of SMT Equipment.
CSAE
Yong Song, Xujun Zhang, Xuebing Wu
2024 J jnl
The contagious spread of bullying among Chinese adolescents through large school-based social networks.
Comput. Hum. Behav.
Gaoqiang Fei, Xuanli Jiang, Xujun Zhang, Yaming Yang, Ping Lin, Qiannan Sun, Yue Xiao, Yan Sun, Xinyu Li, Yining Qian, Jiachang Gu, Yanyuan Meng, Xiaoyu Wang, Jiating Sheng, Fangdu Liu, Minhui Li, Lorann Stallones, Henry Xiang
2024 J jnl
Token-Mol 1.0: Tokenized drug design with large language model.
CoRR
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
2023 J jnl
An Improved Mayfly Algorithm With Shading Detection for MPPT of Photovoltaic Systems.
IEEE Access
Hengshan Xu, Mingyang Zhao, Fei Xue, Xujun Zhang, Leijie Sun
2023 J jnl
Efficient and accurate large library ligand docking with KarmaDock.
Nat. Comput. Sci.
Xujun Zhang, Odin Zhang, Chao Shen, Wanglin Qu, Shicheng Chen, Hanqun Cao, Yu Kang, Zhe Wang, Ercheng Wang, Jintu Zhang, Yafeng Deng, Furui Liu, Tianyue Wang, Hongyan Du, Langcheng Wang, Peichen Pan, Guangyong Chen, Chang-Yu Hsieh, Tingjun Hou
2023 J jnl
ML-PLIC: a web platform for characterizing protein-ligand interactions and developing machine learning-based scoring functions.
Briefings Bioinform.
Xujun Zhang, Chao Shen, Tianyue Wang, Yafeng Deng, Yu Kang, Dan Li, Tingjun Hou, Peichen Pan
2023 J jnl
Molecular Generation with Reduced Labeling through Constraint Architecture.
J. Chem. Inf. Model.
Jike Wang, Yundian Zeng, Huiyong Sun, Junmei Wang, Xiaorui Wang, Ruofan Jin, Mingyang Wang, Xujun Zhang, Dong-Sheng Cao, Xi Chen, Chang-Yu Hsieh, Tingjun Hou
2023 J jnl
Privacy-preserving activity recognition using multimodal sensors in smart office.
Future Gener. Comput. Syst.
Xiangying Zhang, Pai Zheng, Tao Peng, Dai Li, Xujun Zhang, Renzhong Tang
2023 J jnl
ResGen is a pocket-aware 3D molecular generation model based on parallel multiscale modelling.
Nat. Mac. Intell.
Odin Zhang, Jintu Zhang, Jieyu Jin, Xujun Zhang, Renling Hu, Chao Shen, Hanqun Cao, Hongyan Du, Yu Kang, Yafeng Deng, Furui Liu, Guangyong Chen, Chang-Yu Hsieh, Tingjun Hou
2023 J jnl
TB-IECS: an accurate machine learning-based scoring function for virtual screening.
J. Cheminformatics
Xujun Zhang, Chao Shen, Dejun Jiang, Jintu Zhang, Qing Ye, Lei Xu, Tingjun Hou, Peichen Pan, Yu Kang
2022 J jnl
Knowledge-based BERT: a method to extract molecular features like computational chemists.
Briefings Bioinform.
Zhenxing Wu, Dejun Jiang, Jike Wang, Xujun Zhang, Hongyan Du, Lurong Pan, Chang-Yu Hsieh, Dongsheng Cao, Tingjun Hou
2022 J jnl
VGSC-DB: an online database of voltage-gated sodium channels.
J. Cheminformatics
Gaoang Wang, Jiahui Yu, Hongyan Du, Chao Shen, Xujun Zhang, Yifei Liu, Yangyang Zhang, Dong-Sheng Cao, Peichen Pan, Tingjun Hou
2021 J jnl
ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions.
J. Cheminformatics
Xujun Zhang, Chao Shen, Xueying Guo, Zhe Wang, Gaoqi Weng, Qing Ye, Gaoang Wang, Qiaojun He, Bo Yang, Dong-Sheng Cao, Tingjun Hou
2021 J jnl
Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening?
Briefings Bioinform.
Chao Shen, Gaoqi Weng, Xujun Zhang, Elaine Lai-Han Leung, Xiaojun Yao, Jinping Pang, Xin Chai, Dan Li, Ercheng Wang, Dong-Sheng Cao, Tingjun Hou
2021 J jnl
Beware of the generic machine learning-based scoring functions in structure-based virtual screening.
Briefings Bioinform.
Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Jinping Pang, Gaoang Wang, Haiyang Zhong, Lei Xu, Dong-Sheng Cao, Tingjun Hou
2021 J jnl
Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions.
Briefings Bioinform.
Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Haiyang Zhong, Gaoang Wang, Xiaojun Yao, Lei Xu, Dong-Sheng Cao, Tingjun Hou
2021 J jnl
Identification of active molecules against Mycobacterium tuberculosis through machine learning.
Briefings Bioinform.
Qing Ye, Xin Chai, Dejun Jiang, Liu Yang, Chao Shen, Xujun Zhang, Dan Li, Dong-Sheng Cao, Tingjun Hou
2021 J jnl
Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning.
Nat. Mach. Intell.
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
2021 J jnl
The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction.
J. Cheminformatics
Chao Shen, Xueping Hu, Junbo Gao, Xujun Zhang, Haiyang Zhong, Zhe Wang, Lei Xu, Yu Kang, Dong-Sheng Cao, Tingjun Hou
2021 J jnl
VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations.
J. Chem. Inf. Model.
Ercheng Wang, Weitao Fu, Dejun Jiang, Huiyong Sun, Junmei Wang, Xujun Zhang, Gaoqi Weng, Hui Liu, Peng Tao, Tingjun Hou
2012 C conf
Model and Solution for Hot Strip Rolling Scheduling Problem Based on Constraint Programming Method.
CIT
Xujun Zhang, Zhimin Lv, Xiaoqing Song