Lei Xu - RankMe

20 papers C 1Journal 19

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	The Utilization of Machine Learning Approaches in Predicting the Prominent Physicochemical Properties of Polychlorinated Biphenyl. Int. J. Pattern Recognit. Artif. Intell. Hongqin Zhang, Ying Zhang, Lei Xu
2025	J	`jnl`	Towards Megacity-Scale Wind Flow Simulations on Many-Core CPU-Accelerator Systems. SIAM J. Sci. Comput. Lei Xu, Qingyang Zhang, Kai Lu, Zhengzheng Yan, Chunye Gong, Shengguo Li, Lin Chen, Xinhai Chen, Xuchuan Lin, Jie Liu, Zheng Wang, Rongliang Chen
2024	J	`jnl`	Dissecting the role of ALK double mutations in drug resistance to lorlatinib with in-depth theoretical modeling and analysis. Comput. Biol. Medicine Xing Zhang, Jianbo Tong, Tianhao Wang, Tianyue Wang, Lei Xu, Zhe Wang, Tingjun Hou, Peichen Pan
2024	J	`jnl`	In-depth theoretical modeling to explore the mechanism of TPX-0131 overcoming lorlatinib resistance to ALKL1196M/G1202R mutation. Comput. Biol. Medicine Xing Zhang, Jianbo Tong, Tianhao Wang, Zhe Wang, Shukai Gu, Lei Xu, Tingjun Hou, Peichen Pan
2024	J	`jnl`	Structure-based virtual screening of novel USP5 inhibitors targeting the zinc finger ubiquitin-binding domain. Comput. Biol. Medicine Tianhao Wang, Jianbo Tong, Xing Zhang, Zhe Wang, Lei Xu, Peichen Pan, Tingjun Hou
2023	J	`jnl`	Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning? Briefings Bioinform. Shukai Gu, Chao Shen, Jiahui Yu, Hong Zhao, Huanxiang Liu, Liwei Liu, Rong Sheng, Lei Xu, Zhe Wang, Tingjun Hou, Yu Kang
2023	J	`jnl`	Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis. Briefings Bioinform. Lingling Wang, Lei Xu, Zhe Wang, Tingjun Hou, Haiping Hao, Huiyong Sun
2023	J	`jnl`	Integrating Chemical Language and Molecular Graph in Multimodal Fused Deep Learning for Drug Property Prediction. CoRR Xiaohua Lu, Liangxu Xie, Lei Xu, Rongzhi Mao, Shan Chang, Xiaojun Xu
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`	Comprehensive assessment of deep generative architectures for de novo drug design. Briefings Bioinform. Mingyang Wang, Huiyong Sun, Jike Wang, Jinping Pang, Xin Chai, Lei Xu, Honglin Li, Dongsheng Cao, Tingjun Hou
2022	J	`jnl`	Exploring PI3Kγ binding preference with Eganelisib, Duvelisib, and Idelalisib Comput. Biol. Medicine Lei Jia, Lingling Wang, Yingmin Jiang, Lei Xu, Yanfei Cai, Yun Chen, Jian Jin, Huiyong Sun, Jingyu Zhu
2022	C	`conf`	Improving the Performance of Lattice Boltzmann Method with Pipelined Algorithm on A Heterogeneous Multi-zone Processor. PDCAT Qingyang Zhang, Lei Xu, Rongliang Chen, Lin Chen, Xinhai Chen, Qinglin Wang, Jie Liu, Bo Yang
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`	DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. Briefings Bioinform. Jike Wang, Dong-Sheng Cao, Cunchen Tang, Lei Xu, Qiaojun He, Bo Yang, Xi Chen, Huiyong Sun, 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
2020	J	`jnl`	Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power. Briefings Bioinform. Chao Shen, Zhe Wang, Xiaojun Yao, Youyong Li, Tailong Lei, Ercheng Wang, Lei Xu, Feng Zhu, Dan Li, Tingjun Hou
2018	J	`jnl`	Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays. Genom. Proteom. Bioinform. Wenfang Zhou, Mojie Duan, Weitao Fu, Jinping Pang, Qin Tang, Huiyong Sun, Lei Xu, Shan Chang, Dan Li, Tingjun Hou
2015	J	`jnl`	Structure-Activity Relationships and Anti-inflammatory Activities of J. Chem. Inf. Model. Yu Zhang, Lei Xu, Zhiqiang Zhang, Zhiyu Zhang, Longtai Zheng, Dan Li, Youyong Li, Feng Liu, Kunqian Yu, Tingjun Hou, Xuechu Zhen
2013	J	`jnl`	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 Sheng Tian, Youyong Li, Junmei Wang, Xiaojie Xu, Lei Xu, Xiaohong Wang, Lei Chen, Tingjun Hou