2007-09--2012-06 Ph.D. in Science: Shanghai Institute of Materia Medica, Chinese Academy of Sciences
2003-09--2007-07 Bachelor's in Science: Shandong University
Published 156 papers, including 149 SCI papers
Applied for 51 national invention patents and 6 software copyrights
2021-10~Present - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Researcher
2015-10~2021-09 - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Associate Researcher
2014-08~2015-09 - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Assistant Researcher
2012-07~2014-07 - Shanghai Institute of Materia Medica, Chinese Academy of Sciences - Postdoctoral Researcher
National Excellent Young Scientist Fund (Medical Department)
Mingzhu Elite Talent
Research
Molecular Simulation and Drug Design Development of New Methods for Molecular Simulation and Drug Design Application of These Methods in Drug Discovery
D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening, Yulong Shi, Xinben Zhang, Yanqing Yang, Tingting Cai, Cheng Peng, Leyun Wu, Liping Zhou, Jiaxin Han, Minfei Ma, Weiliang Zhu, Zhijian Xu, 2023
Preferred microenvironments of halogen bonds and hydrogen bonds revealed using statistics and QM/MM calculation studies, Liping Zhou, Jintian Li, Yulong Shi, Leyun Wu, Weiliang Zhu, Zhijian Xu, 2023
Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery, Leyun Wu, Guangpu Wang, Liping Zhou, Mengxia Mo, Yulong Shi, Bo Li, Leimiao Yin, Qiang Zhao, Yongqing Yang, Chengkun Wu, Zhijian Xu, Weiliang Zhu, 2023
Preventive and therapeutic benefits of nelfinavir in rhesus macaques and human beings infected with SARS-CoV-2, Zhijian Xu, Danrong Shi, Jian-Bao Han, Yun Ling, Xiangrui Jiang, Xiangyun Lu, Chuan Li, Likun Gong, Guangbo Ge, Yani Zhang, Yi Zang, Tian-Zhang Song, Xiao-Li Feng, Ren-Rong Tian, Jia Ji, Miaojin Zhu, Nanping Wu, Chunhui Wu, Zhen Wang, Yechun Xu, Cheng Peng, Min Zheng, Junling Yang, Feifei Du, Junliang Wu, Peipei Wang, Jingshan Shen, Jianliang Zhang, Yong-Tang Zheng, Hangping Yao, Weiliang Zhu, 2023
Development of a Novel 18F-Labeled Probe for PET Imaging of Estrogen Receptor β, Yujing Zhou, Peng Lei, Jiaxin Han, Zhiming Wang, Aiyan Ji, Yuyang Wu, Lingling Zheng, Xiaoqing Zhang, Chunrong Qu, Jian Min, Weiliang Zhu, Zhijian Xu, Xingdang Liu, Hao Chen, Zhen Cheng, 2023
Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery, Leyun Wu, Guangpu Wang, Liping Zhou, Mengxia Mo, Yulong Shi, Bo Li, Leimiao Yin, Qiang Zhao, Yongqing Yang, Chengkun Wu, Zhijian Xu, Weiliang Zhu, 2023
SARS-CoV-2 Omicron RBD shows weaker binding affinity than the currently dominant Delta variant to human ACE2, Leyun Wu, Liping Zhou, Mengxia Mo, Tingting Liu, Chengkun Wu, Chunye Gong, Kai Lu, Likun Gong, Weiliang Zhu, Zhijian Xu, 2022
Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay, Liping Zhou, Tingting Liu, Mengxia Mo, Yulong Shi, Leyun Wu, Yishui Li, Qiuping Qin, Weiliang Zhu, Chengkun Wu, Likun Gong, Zhijian Xu, 2022
Preclinical validation and phase I trial of 4-hydroxysalicylanilide, targeting ribonucleotide reductase mediated dNTP synthesis in multiple myeloma, Yongsheng Xie, Yingcong Wang, Zhijian Xu, Yumeng Lu, Dongliang Song, Lu Gao, Dandan Yu, Bo Li, Gege Chen, Hui Zhang, Qilin Feng, Yong Zhang, Ke Hu, Cheng Huang, Yu Peng, Xiaosong Wu, Zhiyong Mao, Jimin Shao, Weiliang Zhu, Jumei Shi, 2022
D3AI-Spike: A deep learning platform for predicting binding affinity between SARS-CoV-2 spike Receptor Binding Domain with multiple amino acid mutations and human angiotensin-converting enzyme 2, Jiaxin Han, Tingting Liu, Xinben Zhang, Yanqing Yang, Yulong Shi, Jintian Li, Minfei Ma, Weiliang Zhu, Likun Gong, Zhijian Xu, 2022
Exploring the immune evasion of SARS-CoV-2 variant harboring E484K by molecular dynamics simulations, Leyun Wu, Cheng Peng, Yanqing Yang, Yulong Shi, Liping Zhou, Zhijian Xu, Weiliang Zhu, 2022
MultiDTI: Drug-target interaction prediction based on multi-modal representation learning to bridge the gap between new chemical entities and known heterogeneous network, Deshan Zhou, Zhijian Xu, Wentao Li, Xiaolan Xie, Shaoliang Peng, 2021
Ligand-based approach for predicting drug targets and for virtual screening against COVID-19, Yanqing Yang, Zhengdan Zhu, Xiaoyu Wang, Xinben Zhang, Kaijie Mu, Yulong Shi, Cheng Peng, Zhijian Xu, Weiliang Zhu, 2021
Identification and mechanistic analysis of an inhibitor of the CorC Mg2+ transporter, Yichen Huang, Kaijie Mu, Xinyu Teng, Yimeng Zhao, Yosuke Funato, Hiroaki Miki, Weiliang Zhu, Zhijian Xu, Motoyuki Hattori, 2021
Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2, Cheng Peng, Zhengdan Zhu, Yulong Shi, Xiaoyu Wang, Kaijie Mu, Yanqing Yang, Xinben Zhang, Zhijian Xu, Weiliang Zhu, 2020
Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations, Amina Abula, Zhijian Xu, Zhengdan Zhu, Cheng Peng, Zhaoqiang Chen, Weiliang Zhu, Haji Akber Aisa, 2020
D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19, Yulong Shi, Xinben Zhang, Kaijie Mu, Cheng Peng, Zhengdan Zhu, Xiaoyu Wang, Yanqing Yang, Zhijian Xu, Weiliang Zhu, 2020
D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics, Zhaoqiang Chen, Xinben Zhang, Cheng Peng, Jinan Wang, Zhijian Xu, Kaixian Chen, Jiye Shi, Weiliang Zhu, 2019
Rafoxanide, an organohalogen drug, triggers apoptosis and cell cycle arrest in multiple myeloma by enhancing DNA damage responses and suppressing the p38 MAPK pathway, Wenqin Xiao, Zhijian Xu, Shuaikang Chang, Bo Li, Dandan Yu, Huiqun Wu, Yongsheng Xie, Yingcong Wang, Bingqian Xie, Xi Sun, Yuanyuan Kong, Xiucai Lan, Wenxuan Bu, Gege Chen, Lu Gao, Xiaosong Wu, Jumei Shi, Weiliang Zhu, 2019
Underestimated Halogen Bonds Forming with Protein Backbone in Protein Data Bank, Qian Zhang, Zhijian Xu, Shi Jiye, Weiliang Zhu, 2017
The Underestimated Halogen Bonds Forming with Protein Side Chains in Drug Discovery and Design, Qian Zhang, Zhijian Xu, Weiliang Zhu, 2017
How do Distance and Solvent Affect the Halogen Bonding Involving Negatively Charged Donors?, Zhaoqiang Chen, Guimin Wang, Zhijian Xu, Jinan Wang, Yuqi Yu, Tingting Cai, Qiang Shao, Jiye Shi, Weiliang Zhu, 2016
Repositioning organohalogen drugs: a case study for identification of potent B-Raf V600E inhibitors via docking and bioassay, Yisu Li, Binbin Guo, Zhijian Xu, Bo Li, Tingting Cai, Xinben Zhang, Yuqi Yu, Heyao Wang, Jiye Shi, Weiliang Zhu, 2016
Stability and Characteristics of the Halogen Bonding Interaction in an Anion-Anion Complex: A Computational Chemistry Study, Guimin Wang, Zhaoqiang Chen, Zhijian Xu, Jinan Wang, Yang Yang, Tingting Cai, Jiye Shi, Weiliang Zhu, 2016
