Lei Xu

Publication Activity (10 Years)

Years Active: 2013-2024
Publications (10 Years): 14

Top Topics

Structural Motifs

Molecular Dynamics Simulations

Virtual Screening

Scoring Functions

Top Venues

Briefings Bioinform.

J. Cheminformatics

Comput. Biol. Medicine

Publications

Tianhao Wang, Jianbo Tong, Xing Zhang, Zhe Wang, Lei Xu, Peichen Pan, Tingjun Hou
Structure-based virtual screening of novel USP5 inhibitors targeting the zinc finger ubiquitin-binding domain. Comput. Biol. Medicine 174 (2024)
Xing Zhang, Jianbo Tong, Tianhao Wang, Tianyue Wang, Lei Xu, Zhe Wang, Tingjun Hou, Peichen Pan
Dissecting the role of ALK double mutations in drug resistance to lorlatinib with in-depth theoretical modeling and analysis. Comput. Biol. Medicine 169 (2024)
Xiaohua Lu, Liangxu Xie, Lei Xu, Rongzhi Mao, Shan Chang, Xiaojun Xu
Integrating Chemical Language and Molecular Graph in Multimodal Fused Deep Learning for Drug Property Prediction. CoRR (2023)
Lingling Wang, Lei Xu, Zhe Wang, Tingjun Hou, Haiping Hao, Huiyong Sun
Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis. Briefings Bioinform. 24 (1) (2023)
Shukai Gu, Chao Shen, Jiahui Yu, Hong Zhao, Huanxiang Liu, Liwei Liu, Rong Sheng, Lei Xu, Zhe Wang, Tingjun Hou, Yu Kang
Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning? Briefings Bioinform. 24 (2) (2023)
Xujun Zhang, Chao Shen, Dejun Jiang, Jintu Zhang, Qing Ye, Lei Xu, Tingjun Hou, Peichen Pan, Yu Kang
TB-IECS: an accurate machine learning-based scoring function for virtual screening. J. Cheminformatics 15 (1) (2023)
Qingyang Zhang, Lei Xu, Rongliang Chen, Lin Chen, Xinhai Chen, Qinglin Wang, Jie Liu, Bo Yang
Improving the Performance of Lattice Boltzmann Method with Pipelined Algorithm on A Heterogeneous Multi-zone Processor. PDCAT (2022)
Mingyang Wang, Huiyong Sun, Jike Wang, Jinping Pang, Xin Chai, Lei Xu, Honglin Li, Dongsheng Cao, Tingjun Hou
Comprehensive assessment of deep generative architectures for de novo drug design. Briefings Bioinform. 23 (1) (2022)
Jike Wang, Dong-Sheng Cao, Cunchen Tang, Lei Xu, Qiaojun He, Bo Yang, Xi Chen, Huiyong Sun, Tingjun Hou
DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. Briefings Bioinform. 22 (3) (2021)
Chao Shen, Xueping Hu, Junbo Gao, Xujun Zhang, Haiyang Zhong, Zhe Wang, Lei Xu, Yu Kang, Dong-Sheng Cao, Tingjun Hou
The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction. J. Cheminformatics 13 (1) (2021)
Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Jinping Pang, Gaoang Wang, Haiyang Zhong, Lei Xu, Dong-Sheng Cao, Tingjun Hou
Beware of the generic machine learning-based scoring functions in structure-based virtual screening. Briefings Bioinform. 22 (3) (2021)
Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Haiyang Zhong, Gaoang Wang, Xiaojun Yao, Lei Xu, Dong-Sheng Cao, Tingjun Hou
Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions. Briefings Bioinform. 22 (1) (2021)
Chao Shen, Zhe Wang, Xiaojun Yao, Youyong Li, Tailong Lei, Ercheng Wang, Lei Xu, Feng Zhu, Dan Li, Tingjun Hou
Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power. Briefings Bioinform. 21 (1) (2020)
Wenfang Zhou, Mojie Duan, Weitao Fu, Jinping Pang, Qin Tang, Huiyong Sun, Lei Xu, Shan Chang, Dan Li, Tingjun Hou
Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays. Genom. Proteom. Bioinform. 16 (6) (2018)
Yu Zhang, Lei Xu, Zhiqiang Zhang, Zhiyu Zhang, Longtai Zheng, Dan Li, Youyong Li, Feng Liu, Kunqian Yu, Tingjun Hou, Xuechu Zhen
-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors. J. Chem. Inf. Model. 55 (9) (2015)
Sheng Tian, Youyong Li, Junmei Wang, Xiaojie Xu, Lei Xu, Xiaohong Wang, Lei Chen, Tingjun Hou
Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines. J. Cheminformatics 5 (2013)