John Zeng Hui ZHANGChair Professor

Develop novel computational and machine learning methods for accurate and efficient study of biological systems, including protein’s structure and function, protein-ligand binding, drug design, protein-protein interaction, protein design, enzyme design, simulation of enzyme reactions, etc.

John Z.H. Zhang is a chair professor in Shenzhen Institute of Advanced Technology (SIAT), Chinese Academy of Sciences.

Professor Zhang received his Ph.D. in Chemical Physics from University of Houston, USA in 1987. He then worked as a postdoctoral fellow and assistant researcher in the Department of Chemistry at the University of California, Berkeley. He was an assistant professor, associate professor, and professor in the Department of Chemistry at New York University. He was the Director of the Institute of Theoretical and Computational Chemistry of the Special Economic Zone of Nanjing University, Professor of East China Normal University, Director of NYU-ECNU Center for Computational Chemistry at NYU Shanghai. Professor Zhang has been awarded the Camille and Henry Dreyfus New Faculty Award, Alfred P. Sloan Research Fellow, Camille Dreyfus Teacher-Scholar, and National Science Foundation Presidential Faculty Fellow and the Fellow of the Royal Society of Chemistry (UK). So far, he has published more than 400 papers in academic journals, with more than 12,000 citations and an H-index index of 58 (web of science).  He is currently an Associate Editor of Phys. Chem. Chem. Phys. and serves on the editorial boards of several international journals.

Contact:0755-86523427
Email: zh.zhang1@siat.ac.cn


Publications/Patents (selected)

C.G. Ji and J.Z.H. Zhang*, “Protein Polarization Is Critical to Stabilizing AF-2 and Helix-2’Domains in Ligand Binding to PPAR gamma”, J. Am. Chem. Soc. 130, 17129–17133 (2008).

Y. Tong, C.G. Ji, Y. Mei, J.Z.H. Zhang*, “Simulation of NMR Data Reveals that Protein’s local structures Are Stabilized by Electronic Polarization”, J. Am. Chem. Soc. 131, 8636–8641 (2009).

C.G. Ji and J.Z.H. Zhang*, “Understanding the Molecular Mechanism of Enzyme Dynamics of Ribonuclease A through Protonation/Deprotonation of HIS48”, J. Am. Chem. Soc. 133, 17727-17737 (2011).

L.L. Duan, X. Liu, J.Z.H. Zhang*, “Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein–Ligand Binding Free Energy”, J. Am. Chem. Soc., 138, 5722–5728 (2016).

Jinzhe Zeng, Liqun Cao, Mingyuan Xu, Tong Zhu*, John Z. H. Zhang*, Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation, Nat. Comm., 11, 5713 (2020).


[1] 一种表达微管β亚基与蛋白A的D结构域融合蛋白的基因工程菌株及其构建方法. ZL202010207523.9

[2] 一种基于α螺旋融合两种蛋白质且保持各自亚基活性的蛋白质融合设计方法. ZL202010192367.3

[3] 一种基于酵母二肽基肽酶Ⅲ的抗体模拟物及其应用. ZL202010192357.X