World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
62
Citations
16514
World Ranking
8720
National Ranking
1522

Overview

Weiliang Zhu is affiliated with the Chinese Academy of Sciences in China. They have a research focus primarily in medicine and biochemistry, genetics, and molecular biology. Their work spans multiple subfields including molecular biology, organic chemistry, computational theory and mathematics, pharmacology, and oncology.

Their research covers a number of scientific topics, with a strong emphasis on computational drug discovery methods and SARS-CoV-2 and COVID-19 research. Other notable areas of study include multiple myeloma research and treatments, crystallography and molecular interactions, chemical synthesis and analysis, protein structure and dynamics, as well as cancer therapeutics and mechanisms.

Weiliang Zhu has contributed to several publications in reputable journals. Frequent publication venues include:

  • Journal of Medicinal Chemistry
  • European Journal of Medicinal Chemistry
  • Journal of Chemical Information and Modeling
  • Acta Pharmacologica Sinica
  • Computers in Biology and Medicine

The scientist has authored or co-authored multiple papers. Selected recent papers include:

  • "Nelfinavir was predicted to be a potential inhibitor of 2019-nCov main protease by an integrative approach combining homology modelling, molecular docking and binding free energy calculation," 2020, bioRxiv (Cold Spring Harbor Laboratory)
  • "Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations," 2020, Journal of Chemical Information and Modeling
  • "ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine," 2023, Acta Pharmaceutica Sinica B
  • "D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19," 2020, Acta Pharmaceutica Sinica B
  • "Interaction Nature and Computational Methods for Halogen Bonding: A Perspective," 2020, Journal of Chemical Information and Modeling

Frequent collaborators in their research include Zhijian Xu, Bo Li, Jumei Shi, Yulong Shi, and Dongliang Song. These partnerships have resulted in numerous co-authored publications across various scientific domains.

Best Publications

  • Predicting protein-protein interactions based only on sequences information.

    Juwen Shen;Jian Zhang;Xiaomin Luo;Weiliang Zhu

  • Halogen bonding--a novel interaction for rational drug design?

    Yunxiang Lu;Ting Shi;Yong Wang;Huaiyu Yang

  • TarFisDock: a web server for identifying drug targets with docking approach

    Honglin Li;Zhenting Gao;Ling Kang;Hailei Zhang

  • Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design

    Yunxiang Lu;Yong Wang;Weiliang Zhu

  • Halogen bond: its role beyond drug-target binding affinity for drug discovery and development.

    Zhijian Xu;Zhuo Yang;Yingtao Liu;Yunxiang Lu

  • PDTD: a web-accessible protein database for drug target identification

    Zhenting Gao;Zhenting Gao;Honglin Li;Honglin Li;Hailei Zhang;Xiaofeng Liu

  • Conformational transition of amyloid β-peptide

    Yechun Xu;Jianhua Shen;Xiaomin Luo;Weiliang Zhu

  • Halogen bonding for rational drug design and new drug discovery

    Yunxiang Lu;Yingtao Liu;Zhijian Xu;Haiying Li

  • Binding interaction of quercetin-3-β-galactoside and its synthetic derivatives with SARS-CoV 3CLpro: Structure–activity relationship studies reveal salient pharmacophore features

    Lili Chen;Jian Li;Cheng Luo;Hong Liu

  • Nelfinavir was predicted to be a potential inhibitor of 2019 nCov main protease by an integrative approach combining homology modelling, molecular docking and binding free energy calculation

    Zhijian Xu;Cheng Peng;Yulong Shi;Zhengdan Zhu

  • Redox-neutral rhodium-catalyzed C-H functionalization of arylamine N-oxides with diazo compounds: primary C(sp(3))-H/C(sp(2))-H activation and oxygen-atom transfer.

    Bing Zhou;Zhaoqiang Chen;Yaxi Yang;Wen Ai

  • Rh(III)-Catalyzed Redox-Neutral Unsymmetrical C–H Alkylation and Amidation Reactions of N-Phenoxyacetamides

    Yunxiang Wu;Zhaoqiang Chen;Yaxi Yang;Weiliang Zhu

  • New technologies in computer-aided drug design: Toward target identification and new chemical entity discovery.

    Yun Tang;Weiliang Zhu;Kaixian Chen;Hualiang Jiang;Hualiang Jiang

  • Syntheses of triazole-modified zanamivir analogues via click chemistry and anti-AIV activities.

    Jian Li;Mingyue Zheng;Wei Tang;Pei-Lan He

  • 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

  • Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors

    Zhijian Xu;Zheng Liu;Tong Chen;TianTian Chen

  • Molecular docking for drug discovery and development: a widely used approach but far from perfect

    Guimin Wang;Weiliang Zhu

  • Site of metabolism prediction for six biotransformations mediated by cytochromes P450

    Mingyue Zheng;Xiaomin Luo;Qiancheng Shen;Yong Wang

  • Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets

    Zhi Chen;Hong-lin Li;Qi-jun Zhang;Xiao-guang Bao

  • The Multiplicity, Strength, and Nature of the Interaction of Nucleobases with Alkaline and Alkaline Earth Metal Cations: A Density Functional Theory Investigation

    Weiliang Zhu;Xiaomin Luo;Chum Mok Puah;Xiaojian Tan

  • How does halogen bonding behave in solution? A theoretical study using implicit solvation model.

    Yunxiang Lu;Haiying Li;Xiang Zhu;Weiliang Zhu

  • Molecular docking and molecular dynamics simulation studies of GPR40 receptor-agonist interactions.

    Shao-Yong Lu;Yong-Jun Jiang;Jing Lv;Tian-Xing Wu

  • Molecular docking and 3-D-QSAR studies on the possible antimalarial mechanism of artemisinin analogues.

    Feng Cheng;Jianhua Shen;Xiaomin Luo;Weiliang Zhu

  • C-X...H contacts in biomolecular systems: how they contribute to protein-ligand binding affinity.

    Yunxiang Lu;Yong Wang;Zhijian Xu;Xiuhua Yan

Frequent Co-Authors

Hualiang Jiang
Hualiang Jiang Chinese Academy of Sciences
Kaixian Chen
Kaixian Chen Chinese Academy of Sciences
Xiaomin Luo
Xiaomin Luo Chinese Academy of Sciences
Jiye Shi
Jiye Shi UCB Pharma (Belgium)
Hong Liu
Hong Liu Shandong University
Mingyue Zheng
Mingyue Zheng Chinese Academy of Sciences
Yong Zhang
Yong Zhang Chinese Academy of Sciences
Cheng Luo
Cheng Luo Chinese Academy of Sciences
Xu Shen
Xu Shen Nanjing University of Chinese Medicine
Yun Tang
Yun Tang East China University of Science and Technology

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