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

Dr. Lingling Shen
conformational dynamics
Ph.D., Pharmaceutical Chemistry, CAS Shanghai Institute of Materia Medica
M. Sc., Biology, CAS Institute of Biophysics
B.Sc., Physics, Beijing Normal University

Postdoctoral Researchers and Research Assistant Professors

Dr. Yi Shi
intrinsically disordered proteins; membrane proteins
Ph.D., Bioinformatics, University of Science and Technology of China
B.Sc., Biotechnology, Yunnan University

Dr. Zongyang Qiu
protein force field; protein dynamics
Ph.D., Physics, University of Science and Technology of China
B.Sc., Physics, Fujian Normal University

Dr. Yingnan Hou
protein-protein interactions; co-supervised with Dr. Xu Li
Ph.D., Mathematics, Shandong University
B.Sc., Mathematics, Henan University

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

PhD Students

Mr. Ye Ding
force field development; statistical learning
B.Sc., Applied Physics, Dalian University of Technology

Mr. Chengwei Zhang
multiscale simulation; protein-DNA interactions
M.Sc., Bioinformatics, CAS Beijing Institute of Genomics
B.Sc., Biology, Beijing Normal University

Ms. Tengyu Xie
sampling; protein structure prediction
M.Eng., Control Science and Engineering, Zhejiang University of Technology
B.Eng., Measurement and Control Technology, Wuhan Institute of Technology

Ms. Xiaoli Lu
membrane protein simulations; free energy methods
M.Sc., Biology, Northwestern Polytechnical University
B.Sc., Biology, Northwestern Polytechnical University

Mr. Jinfeng Chen
Polarizable force fields; QM/MM
M.Sc., Environmental Science, Shandong University
B.Sc., Chemistry, Jilin University

Ms. Jing Xiao
Development and implementation of MD algorithms on FPGA
M.Sc., Electric Engineering, University of Southampton
B.Sc., Biomedical Engineering, Northeastern University

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. Jinyin Wang
identification and quantification algorithms in proteomics
M.Eng., Biomedical Engineering, Fudan University
B.Sc., Physics, Fudan 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

System Adminstrator

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


Mr. Houhou Huang, Research Assistant (2018 - 2020)
Mr. Jian Zhu, Research Assistant (2018 - 2021), now in Prof. Wenjie Dou’s lab at Westlake University
Dr. Xiang Yu, Postdoc (2019 - 2021)