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, Xi'an 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 as an R&D Director at XtalPi Co. Ltd, 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 (sijin.wu@xjtlu.edu.cn) if you are interested in collaboration with him, or visit his office at SD 334E.