Principal Investigator

Dr. Jing Huang
Ph.D., Chemistry, University of Basel
M.Sc., Physics, Tsinghua University
B.Sc., Physics, Tsinghua University

Research Associate Professors

Dr. You Xu
force field development; protein-DNA interactions
Ph.D., Biophysics, Karolinska Institutet
M.Sc., Computational Chemistry, East China University of Science and Technology
B.Sc., Pharmaceutical Chemistry, Southeast University

Postdoctoral Researchers and Research Assistant Professors

Dr. Wenyi Zhang
docking algorithms; drug design
Ph.D., Computer Science, Northeast Normal University
B.Sc., Computer Scinece, Northeast Normal University

Dr. Jing Xue
free energy calculation; drug design
Ph.D., Chemical Engineering, Tsinghua University
M.Sc., Chemical Engineering, CAS Institute of Process Engineering
B.Sc., Chemical Engineering, Tsinghua University

Dr. Zilin Song
sampling; ligand-protein interaction
Ph.D., Computational Chemistry, Southern Methodist University
M.E., Chemical Engineering, Wuhan Institute of Technology
B.E., Chemical Engineering, Wuhan Institute of Technology

Dr. Yuxuan Wang
conformational sampling; drug design
Ph.D., Genetics, King’s College London
B.Sc., Marine Pharmacology, China Pharmaceutical University


Dr. Dimitrii Luzik
protein conformations
Ph.D., Cell and Molecular Biology, St. Petersburg State University
B.Sc., Biology, Murmansk State Technical University


PhD Students

Mr. Cheng Qian
protein-protein interactions; free energy calculations
B.Sc., Physics, Shandong University



Ms. Kaiyue Zhang
AI drug design
B.Sc., Bioinformatics, Harbin Medical University



Ms. Qiaozhu Tan
MPID force field, computer-aided drug design
M.Sc., Pharmacy, CAS Northwest Institute of Plateau Biology
B.S.M., Pharmacy, Qinghai University for Nationalities


Ms. Runtong Qian
ligand-protein binding
B.Sc., Bioinformatics, CUHK Shenzhen





Mr. Rui Zhan
M.Sc., Drug Discovery and Translational Biology, University of Edinburgh
B.Sc., Biopharmaceutical, China Pharmaceutical University



Ms. Xinping Feng
M.Sc., Chemistry, University of Chinese Academy of Sciences
B.Sc., Chemistry, China Agricultural University


Ms. Yuxing Wang
B.Sc., Computer Science, Zhejiang University



Mr. Jiang Du
M.Sc., Polymer Chemistry and Physics, Northwest University
B.Eng., Applied Chemistry, Changchun University of Science and Technology



Ms. Caiwei Xiong
M.Sc., Biostatistics, University of North Carolina at Chapel Hill
B.Sc., Statistics, Shanghai University of Finance and Economics

Ms. Kunying Niu
M.Eng., Computer Science, Central South University
B.Eng., Software Engineering, Nanchang University

Mr. Yudong Yan
B.Sc., Physics, Tsinghua University

Ms. Wenyang Zhang
B.Sc., Bioinformatics, CUHK Shenzhen

System Adminstrator

Mr. Yidan Wang
B.E., Communication Engineering, Zhejiang University City College





Selected Awards Received by PhD Students During Their Stay in the Group

National Scholarship for Graduate Students:
Ye Ding (2019), Xiaoli Lu (2022)

SuWu Scholarship, Westlake University:
Chengwei Zhang (2021), Tengyu Xie (2022), Runtong Qian (2025), Kaiyue Zhang (2026)

Outstanding Graduates of Zhejiang Province:
Xiaoli Lu (2023)


Selected Grants Secured by Postdoc Fellows as Independent Investigators During Their Stay


Natural Science Foundation of China, Youth Program:
Xiaoli Lu (2026-2028), Wenyi Zhang (2026-2028), Zilin Song (2026-2028)

China Postdoctoral Fund:
Zongyang Qiu (2021), Zilin Song (2023)

Natural Science Foundation of Zhejiang Province, General Program:
You Xu (2020-2022), Wenyi Zhang (2023-2025), Yingnan Hou (2023-2025)

Hangzhou XiHuMingZhu Program:
You Xu (2025)