专家类别

研究员；百人计划

社会职务

中科院上海药物所研究员、博士生导师、研究组长、药物发现与设计中心主任

科学研究

研究方向

药物设计、计算生物物理化学、计算化学

研究项目

主持了“ 863 ”项目、国家科技攻关项目、国家自然科学基金、 中国科学院“百人计划”课题、 上海市科委基础重大基金等科研项目，研究工作涉及计算生物物理化学、药物设计学和计算化学等领域。

代表论著

课题组成立以来共发表SCI研究论文100余篇，递交专利申请34件，应邀在国内外学术大会上做报告30余次，参加编写及翻译专著5部。近5年发表的部分论文如下：

Jing Deng, Ning Li, Hongchuan Liu, Zhili Zuo, Oi Wah Liew, Weijun Xu, Gang Chen, Xiankun Tong, Wei Tang*, Jin Zhu, Jianping Zuo, Hualiang Jiang, Cai-Guang Yang*, Jian Li*, Weiliang Zhu*, Discovery of Novel Small Molecule Inhibitors of Dengue Viral NS2BNS3 Protease Using Virtual Screening and Scaffold Hopping, J. Med. Chem

Yunxiang Lu, Yingtao Liu, Haiying Li, Xiang Zhu, Honglai Liu, and Weiliang Zhu, Energetic Effects between Halogen Bonds and Anion-π or Lone Pair-π Interactions: A Theoretical Study, The Journal of Physical Chemistry A

Jinwei Wu, Peng Sun, Xiaodong Zhang, Hong Liu, Hualiang Jiang, Weiliang Zhu, Heyao Wang*. Inhibition of GPR40 protects MIN6 β-cells from palmitate-induced ER stress and apoptosis. Journal of Cellular Biochemistry

Di Wang, Fei Wang, Yexiong Tan, Liwei Dong, Lei Chen, Weiliang Zhu*, Hongyang Wang*, Discovery of potent small molecule inhibitors of DYRK1A by structure-based virtual screening and bioassay, Bioorganic & Medicinal Chemistry Letters

Yunxiang Lu*, Haiying Li, Xiang Zhu, Honglai Liu, Weiliang Zhu, Effects of solvent on weak halogen bonds: Density functional theory calculations, International Journal of Quantum Chemistry

Xue-lian Zhu, Hai-yan Cai, Zhi-jian Xu, Yong Wang, He-yao Wang, Ao Zhang and Wei-liang Zhu*. Classification of 5-HT(1A) receptor agonists and antagonists using GA-SVM method. Acta Pharmacol Sin.

Lu Junming, Lu Yunxiang, Yang Subin, Zhu Weiliang*, Theoretical and crystallographic data investigations of noncovalent S···O interactions, Structural Chemistry

Lu Y*, Li H, Zhu X, Zhu W, Liu H. How does halogen bonding behave in solution? A theoretical study using implicit solvation model. J. Phys Chem A.