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 (sijin.wu@xjtlu.edu.cn) if you are interested in collaboration with him, or visit his office at SD 334E.

吴思晋博士的主要研究方向包括：计算机辅助药物设计和蛋白质动力学，旨在利用蛋白质建模、药效团分析、分子对接和分子动力学等计算方法来研究疾病发生发展的机制，发现和设计新的靶向药物分子。他目前对以下研究方向具有浓厚的兴趣：

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。

吴博士在大连理工大学获得博士学位，并在俄亥俄州立大学药学院进行了博士后研究和训练。在此期间，他针对共价靶向药物设计和天然产物药物发现等研究方向进行了一系列的工作，主导开发了两个在线蛋白质靶点数据库和多个分子对接工具。于2020年受聘于中国科学院大连化学物理研究所，作为副研究员开展研究工作，围绕蛋白质翻译后修饰和体细胞突变等结构变化对肿瘤、噬血细胞综合征等恶性疾病的发生发展机制进行研究，发表多篇高质量论文。此外，吴博士还拥有一定的工业化研发经验，作为研发总监带领团队完成多个客户项目，并对内部研发管线给予理论支持，开发了一系列基于分子动力学和CADD方法的抗体可开发性预测算法和抗体工程改造算法。吴博士于2023年8月加入西交利物浦大学慧湖药学院。

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20余篇，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（sijin.wu@xjtlu.edu.cn）与我联系，或访问我的办公室（SD 334E）。

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

APH308 - Computer aided drug design

APH408 - Computer-assisted drug development