Model and Solution for Hot Strip Rolling Scheduling Problem Based on Constraint Programming Method. - Xujun Zhang; Zhimin Lv; Xiaoqing Song (CIT, 2012)

Beware of the generic machine learning-based scoring functions in structure-based virtual screening. - Chao Shen 008; Ye Hu; Zhe Wang 041; Xujun Zhang; Jinping Pang; Gaoang Wang; Haiyang Zhong; Lei Xu 035; Dong-Sheng Cao 001; Tingjun Hou (Briefings Bioinform., 2021)

Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions. - Chao Shen 008; Ye Hu; Zhe Wang 041; Xujun Zhang; Haiyang Zhong; Gaoang Wang; Xiaojun Yao; Lei Xu 035; Dong-Sheng Cao 001; Tingjun Hou (Briefings Bioinform., 2021)

Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening? - Chao Shen 008; Gaoqi Weng; Xujun Zhang; Elaine Lai-Han Leung; Xiaojun Yao; Jinping Pang; Xin Chai; Dan Li 013; Ercheng Wang; Dong-Sheng Cao 001; Tingjun Hou (Briefings Bioinform., 2021)

Identification of active molecules against Mycobacterium tuberculosis through machine learning. - Qing Ye; Xin Chai; Dejun Jiang 002; Liu Yang; Chao Shen 008; Xujun Zhang; Dan Li 013; Dong-Sheng Cao 001; Tingjun Hou (Briefings Bioinform., 2021)

The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction. - Chao Shen 008; Xueping Hu; Junbo Gao; Xujun Zhang; Haiyang Zhong; Zhe Wang 041; Lei Xu 035; Yu Kang 002; Dong-Sheng Cao 001; Tingjun Hou (J. Cheminformatics, 2021)

ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions. - Xujun Zhang; Chao Shen 008; Xueying Guo; Zhe Wang 041; Gaoqi Weng; Qing Ye; Gaoang Wang; Qiaojun He; Bo Yang 023; Dong-Sheng Cao 001; Tingjun Hou (J. Cheminformatics, 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 002; Huiyong Sun; Junmei Wang; Xujun Zhang; Gaoqi Weng; Hui Liu; Peng Tao 007; Tingjun Hou (J. Chem. Inf. Model., 2021)

Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning. - Jike Wang; Chang-Yu Hsieh; Mingyang Wang 004; Xiaorui Wang; Zhenxing Wu; Dejun Jiang 002; Benben Liao; Xujun Zhang; Bo Yang 023; Qiaojun He; Dongsheng Cao 001; Xi Chen; et al. (Nat. Mach. Intell., 2021)

Knowledge-based BERT: a method to extract molecular features like computational chemists. - Zhenxing Wu; Dejun Jiang 002; Jike Wang; Xujun Zhang; Hongyan Du; Lurong Pan; Chang-Yu Hsieh; Dongsheng Cao 001; Tingjun Hou (Briefings Bioinform., 2022)

VGSC-DB: an online database of voltage-gated sodium channels. - Gaoang Wang; Jiahui Yu; Hongyan Du; Chao Shen 008; Xujun Zhang; Yifei Liu; Yangyang Zhang; Dong-Sheng Cao 001; Peichen Pan; Tingjun Hou (J. Cheminformatics, 2022)

An Improved Mayfly Algorithm With Shading Detection for MPPT of Photovoltaic Systems. - Hengshan Xu; Mingyang Zhao; Fei Xue; Xujun Zhang; Leijie Sun (IEEE Access, 2023)

Efficient and accurate large library ligand docking with KarmaDock. - Xujun Zhang; Odin Zhang; Chao Shen 008; Wanglin Qu; Shicheng Chen; Hanqun Cao; Yu Kang 002; Zhe Wang 041; Ercheng Wang; Jintu Zhang; Yafeng Deng; Furui Liu; et al. (Nat. Comput. Sci., 2023)

Molecular Generation with Reduced Labeling through Constraint Architecture. - Jike Wang; Yundian Zeng; Huiyong Sun; Junmei Wang; Xiaorui Wang; Ruofan Jin; Mingyang Wang 004; Xujun Zhang; Dong-Sheng Cao 001; Xi Chen; Chang-Yu Hsieh; Tingjun Hou (J. Chem. Inf. Model., 2023)

ML-PLIC: a web platform for characterizing protein-ligand interactions and developing machine learning-based scoring functions. - Xujun Zhang; Chao Shen 008; Tianyue Wang; Yafeng Deng; Yu Kang 002; Dan Li 013; Tingjun Hou; Peichen Pan (Briefings Bioinform., 2023)

ResGen is a pocket-aware 3D molecular generation model based on parallel multiscale modelling. - Odin Zhang; Jintu Zhang; Jieyu Jin; Xujun Zhang; Renling Hu; Chao Shen 008; Hanqun Cao; Hongyan Du; Yu Kang 002; Yafeng Deng; Furui Liu; Guangyong Chen; et al. (Nat. Mac. Intell., 2023)

Privacy-preserving activity recognition using multimodal sensors in smart office. - Xiangying Zhang; Pai Zheng; Tao Peng 012; Dai Li; Xujun Zhang; Renzhong Tang (Future Gener. Comput. Syst., 2023)

TB-IECS: an accurate machine learning-based scoring function for virtual screening. - Xujun Zhang; Chao Shen 008; Dejun Jiang 002; Jintu Zhang; Qing Ye; Lei Xu 035; Tingjun Hou; Peichen Pan; Yu Kang 002 (J. Cheminformatics, 2023)

Successful Practice of Cultivating New Quality Productivity: Innovative Combination of Technical Parameters of SMT Equipment. - Yong Song; Xujun Zhang; Xuebing Wu (CSAE, 2024)

Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. - Tianyue Wang; Langcheng Wang; Xujun Zhang; Chao Shen 008; Odin Zhang; Jike Wang; Jialu Wu; Ruofan Jin; Donghao Zhou; Shicheng Chen; Liwei Liu; Xiaorui Wang; et al. (Briefings Bioinform., 2024)

The contagious spread of bullying among Chinese adolescents through large school-based social networks. - Gaoqiang Fei; Xuanli Jiang; Xujun Zhang; Yaming Yang; Ping Lin; Qiannan Sun; Yue Xiao; Yan Sun; Xinyu Li; Yining Qian; Jiachang Gu; Yanyuan Meng; et al. (Comput. Hum. Behav., 2024)

Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation. - Odin Zhang; Yufei Huang 002; Shichen Cheng; Mengyao Yu; Xujun Zhang; Haitao Lin; Yundian Zeng; Mingyang Wang 004; Zhenxing Wu; Huifeng Zhao; Zaixi Zhang; Chenqing Hua; et al. (CoRR, 2024)

Token-Mol 1.0: Tokenized drug design with large language model. - Jike Wang; Rui Qin; Mingyang Wang 004; Meijing Fang; Yangyang Zhang; Yuchen Zhu; Qun Su; Qiaolin Gou; Chao Shen 008; Odin Zhang; Zhenxing Wu; Dejun Jiang 002; et al. (CoRR, 2024)

DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery. - Chao Shen 008; Jianfei Song; Chang-Yu Hsieh; Dong-Sheng Cao 001; Yu Kang 002; Wenling Ye; Zhenxing Wu; Jike Wang; Odin Zhang; Xujun Zhang; Hao Zeng; Heng Cai; et al. (J. Chem. Inf. Model., 2024)

Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. - Huifeng Zhao; Dejun Jiang 002; Chao Shen 008; Jintu Zhang; Xujun Zhang; Xiaorui Wang; Dou Nie; Tingjun Hou; Yu Kang 002 (J. Chem. Inf. Model., 2024)

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 002; Tingjun Hou; Ercheng Wang (J. Chem. Inf. Model., 2025)

Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein. - Shicheng Chen; Odin Zhang; Chenran Jiang; Huifeng Zhao; Xujun Zhang; Mengting Chen; Yun Liu; Qun Su; Zhenxing Wu; Xinyue Wang; Wanglin Qu; Yuanyi Ye; et al. (Nat. Mac. Intell., 2025)

Benchmarking AI-powered docking methods from the perspective of virtual screening. - Shukai Gu; Chao Shen 008; Xujun Zhang; Huiyong Sun; Heng Cai; Hao Luo; Huifeng Zhao; Bo Liu; Hongyan Du; Yihao Zhao; Chenggong Fu; Silong Zhai; et al. (Nat. Mac. Intell., 2025)

Graph Neural Networks in Modern AI-aided Drug Discovery. - Odin Zhang; Haitao Lin; Xujun Zhang; Xiaorui Wang; Zhenxing Wu; Qing Ye; Weibo Zhao; Jike Wang; Kejun Ying; Yu Kang 002; Chang-Yu Hsieh; Tingjun Hou (CoRR, 2025)

BioScore: A Foundational Scoring Function For Diverse Biomolecular Complexes. - Yuchen Zhu; Jihong Chen; Yitong Li; Xiaomin Fang; Xianbin Ye; Jingzhou He; Xujun Zhang; Jingxuan Ge; Chao Shen 008; Xiaonan Zhang; Tingjun Hou; Chang-Yu Hsieh (CoRR, 2025)