altText copyrightStatement

Sijin Wu

Assistant Professor, Adjunct Associate Researcher

Calculated based on number of publications stored in Pure and citations from Scopus

Research activity per year

Personal profile

Personal profile

Dr. Sijin Wu's research focuses on computer-aided drug design and discovery, with the goal of identifying novel therapeutic agents using simulation methods like modeling, pharmacophore analysis, docking, and molecular dynamics (MD). His current research interests include:

1. Investigating the mechanisms of protein allosteric regulation and developing allosteric regulators.

2. Designing and discovering multi-target small molecular compounds.

3. Studying the mechanisms of protein dynamics and interaction changes under post-translational modifications and somatic mutations in diseases.

Dr. Wu is currently serving as an Assistant Professor at the Wisdom Lake Academy of Pharmacy, Xian Jiaotong-Liverpool University. He obtained his PhD from Dalian University of Technology and completed a postdoctoral fellowship at the College of Pharmacy, the Ohio State University. Within this period, he conducted a series of study on the fields of Cysteine-targeted covalent drug design, and drug discovery of natural products. Meanwhile, he developed two knowledge-based online protein targets databases and several molecular docking tools. Following that, he conducted academic research at the Dalian Institute of Chemical Physics, Chinese Academy of Sciences, as a Research Associate Professor. With a focus on the mechanisms underlying the pathogenesis and progression of malignant diseases (e.g., tumors and hemophagocytic syndrome), he contributed to the field by investigating the impact of minor structural changes, such as post-translational modifications and somatic mutations, leading to several high-quality papers. He also had industrial research and development experience, to lead the team to complete several clients projects and developed a series of antibody developability prediction algorithms based on MD methods.

Dr. Wu has a strong publication record with over 40 SCI publications, many of which are as the first author or corresponding author in top journals like Nature Medicine, Science Advances, Nature Communications, Molecular Cancer, EMBO Reports, Clinical and Translational Medicine, and Oncogene. Many articles are in the process of submission or preparation.Wu lab is now welcome potential master and undergraduate students with interesting in CADD research. Contact him via email ( if you are interested in collaboration with him, or visit his office at SD 334E.


1. 蛋白质变构调节机制研究,并开发新的变构调节小分子;

2. 多靶点小分子化合物的设计与开发;

3. 翻译后修饰和体细胞突变对于疾病的影响机制,以及其中的蛋白质结构、动态及相互作用变化研究。


吴博士已发表40余篇研究论文,其中第一作者和通讯作者(含共同)文章共22篇,并在领域内重要期刊上发表多篇论文,如Nature Medicine、Science Advances、Nature Communications(2篇)、Science Bulletin、Molecular Cancer、EMBO Reports、Clinical and Translational Medicine、Oncogene和Journal of Natural Products(2篇)等。

非常欢迎对药物设计和蛋白质动力学等研究方向感兴趣的硕士生和本科生加入本实验室。另外本实验室现有潜在的博士名额开放,如果您有兴趣的话,请通过电子邮件(与我联系,或访问我的办公室(SD 334E)。

Research interests

Computer-Aided Drug Design and Discovery

Protein Dynamics

Protein-Protein Interactions

Antibody Design and Development


Assistant Professor, Adjunct Associate Researcher, Wisdom Lake Academy of Pharmacy, XJTLU, 2023 to present

Director, CADD Department, Department of Antibody Drugs, Shenzhen Jingtai Technology Co., Ltd. (XtalPi), 2023

Research Associate Professor, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 2020 - 2023

Postdoctoral Researcher, College of Pharmacy, The Ohio State University, 2017 - 2020

Expertise related to UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):

  • SDG 3 - Good Health and Well-being

Related documents

Education/Academic qualification

Ph.D. in Biochemical engineering, Dalian University of Technology

MSc in Microbiology, Nanjing Tech University

BSc in Bioengineering, Nanjing Tech University

Person Types

  • Staff


Dive into the research topics where Sijin Wu is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

Collaborations and top research areas from the last five years

Recent external collaboration on country/territory level. Dive into details by clicking on the dots or