全球前2%等榜单，国际大会组织和报告情况，国际期刊编委情况:
2019年Elsevier中国高被引学者（化学）
全球前2%顶尖科学家终身科学影响力榜单及2023年度科学影响力榜单。
在国际和国内学术会议做邀请报告近200多场，并组织了多次国际和国内学术会议，包括首届世界华人理论与计算化学大会，首届世界华人计算生物与分子模拟大会等。
杂志编辑:
1998-2002Theoretical Chemistry Accounts,Advisor editor
2001-2008Journal of Theoretical and Computational Chemistry, Editor-in-Chief
2008-2012Science in China B-Chemistry,Editorial board
2015-2018Scientific Reports, Editorial board
2015-2018Chemical Physics Letters, Editor
2019-2024Physical Chemistry Chemical Physics, Associate Editor
2008-至今Journal of Computational Biophysics and Chemistry,Advisory editor
2002-至今Chinese Journal of Chemical Physics,Editorial board
2017-至今Frontiers in Biomolecular Science,Associate Editor
2018-至今Computational and Mathematical Biophysics,Editorial board
2020-至今Molecules,Editorial board
2021-至今J. Chemical Information and Modeling, Editorial board
专业协会:
2010-2022中国化学会理论与计算化学专业委员会委员
2010-至今中国生物化学和分子生物学会蛋白质专业委员会委员
2010-至今中科院大连化物所分子反应动力学国重室学术委员会委员
2020-2023宁波大学新药技术研究院第一届学术委员会委员
国际/国内或研究领域奖项:
1.Camille and Henry Dreyfus New Faculty Award
2.National Science Foundation Presidential Faculty Fellow
3.Camille Dreyfus Teacher-Scholar
4.Alfred P. Sloan Research Fellow
5.Overseas Assessor of Chinese Academy of Science
6.国家特聘专家
7.第六届中国侨界贡献奖
8.英国皇家化学会Fellow
（科研成果）代表性文章:
代表性论文：
1.D.H. Zhang andJ.Z.H. Zhang, “Full-dimensional time-dependent treatment for diatom-diatom reactions: the H2 + OH reaction,”J. Chem. Phys. 101, 1146 (1994). 1998-08-31
2.D.W. Zhang andJ.Z.H. Zhang, “Molecular fractionation with conjugate caps for full quantum mechanical calculation of protein-molecule interaction energy”,J. Chem. Phys.119, 3599 (2003).
3.C.G. Ji, Y. Mei andJ.Z.H. Zhang, “Developing polarized protein-specific charges for protein dynamics: MD free energy calculation of pKa shifts for Asp26/Asp20 in thioredoxin”,Biophysical Journal95, 1080 (2008).
4.C.G. Ji andJ.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).
5.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).
6.Y. Tong, Y. Mei, Y.L. Li, C.G. Ji,J.Z.H. Zhang, “Electrostatic polarization makes substantial contribution to free energy of avidin-biotin binding",J. Am. Chem. Soc.132, 5137-5142 (2010).
7.Li L. Duan,Ye Mei,Dawei Zhang, Qing G. Zhang, andJohn Z. H. Zhang, “Folding of a Helix at Room Temperature Is Critically Aided by Electrostatic Polarization of Intraprotein Hydrogen Bonds”,J. Am. Chem. Soc.132, 11159–11164 (2010).
8.C.G. Ji andJ.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).
9.Xiao He, Tong Zhu, Xianwei Wang, JInfeng Liu, andJohn Z. H. Zhang, "Fragment quantum mechanical calculation of proteins and its applications"Acc. Chem. Res.47(9) 2748-2757 (2014).
10.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).
11.Y.N. Yan, M.Y. Yang, C.G. Ji,John Z.H. Zhang, “Interaction Entropy for Computational Alanine Scanning”,J. Chem. Inf. Model.,57, 1112-1122 (2017).
12.Z.X. Sun, Y.N. Yan, M.Y. Yang,John Z.H. Zhang, “Interaction entropy for protein-protein binding”,J. Chem. Phys., 146, 124124 (2017).
13.L.Q. Qiu, Y.N. Yan, Z.X. Sun, J.N. Song,John Z.H. Zhang, “Interaction entropy for computational alanine scanning in protein–protein binding”,WIREs Comput. Mol. Sci., 8, e1342 (2018).
14.E.C. Wang, H.Y. Sun, J.M. Wang, Z. Wang, H. Liu,J.Z.H. Zhang, T.J. Hou, “End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design”,Chem. Rev.,119, 9478−9508 (2019).
15.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,Nature Communications, 11, 5713. (2020).
16.Jingxiao Bao, Xiao He, andJohn Z. H. Zhang, DeepBSP-a Machine Learning Method for Accurate Prediction of Protein−Ligand Docking Structures,J. Chem. Inf. Model., 2021, 61, 2231−2240.
17. Min Wei, Xudong Zhang, Xiaolin Pan, Bo Wang, Changge Ji, Yifei Qi, and John Z. H. Zhang, HobPre: accurate prediction of human oral bioavailability for small molecules,J. Cheminformatics,2022, 14, 1.
18. Haiping Zhang, Konda Mani Saravanan, Yang Yang, Yanjie Wei, Pan Yi and John Z.H. Zhang, Generating and screening de novo compounds against given targets using ultrafast deep learning models as core components,Briefings in Bioinformatics, 2022, 23, 1–15.
19. Mingzhe Ma, Yinghui Feng, Yulu Miao, Qiang Shen, Shuting Tang, Juan Dong, John Z. H. Zhang*, Lujia Zhang*, Revealing the Sequence Characteristics and Molecular Mechanisms of ACE Inhibitory Peptides by Comprehensive Characterization of 160,000 Tetrapeptides,Foods, 2023, 12, 1573.
20. Li, Xiao-Tian; Mi, Sixuan; Xu, Yuzhi; Li, Bo-Wen; Zhu, T; Zhang, John Z. H., Discovery of New Synthetic Routes of Amino Acids in Prebiotic Chemistry,J. Am.Chem. Soc. Au, 2024, 4, 4757-4768.
21.Gan, Zhenjia; Feng, Jianqiang; Yin, Jiabin; Huang, Juping; Wang, Binju; Zhang, John Z. H., “Diverse Mechanisms for the Aromatic Hydroxylation: Insights into the Mechanisms of the Coumarin Hydroxylation by CYP2A6”,ACS Catalysis, 2024, 14, 16277-16286.
22. Muhammad, D; Xia, W; Wang, MS; Sun, ZX; Zhang, JZH,Int. J. Bio. Macromol., 2025, 306, 141454.
