孙慧涌，特聘副研究员，硕士生导师，主要从事计算机/人工智能辅助药物设计（CADD/AIDD）研究工作，累计发表SCI论文110余篇，7篇第一作者论文入选ESI或扩展ESI高被引用论文（多篇论文单篇引用超过500次），论文引用总量10000余次，H因子为44，相关第一/通讯作者论文发表于Chemical Reviews、Nature Communications、Trends in Pharmacological Sciences、Cell Reports Physical Science、Journal of Medicinal Chemistry、British Journal of Pharmacology、Analytical Chemistry等行业主流期刊中，承担纵向科研项目5项，多次入选斯坦福全球Top 2%科学家榜单（2020、2024、2025）。

学术期刊兼职

（1）Journal of Chemical Information and Modeling青年编委

（2）Frontiers in Molecular Biosciences副主编（Associate Editor for Biological Modeling and Simulation）以及特刊编委，组织“Free Energy Calculation: Current Paradigms and Applications for Drug Discovery”专刊两期

（3）Molecules特刊编委，组织“Drug Design with Advanced Computational Strategies and Artificial Intelligence”专刊一期

（4）International Journal of Molecular Sciences特刊编委，组织“New Horizons in Structure and AI-Based Drug Design”专刊一期（投稿截止日期2026.06.30，https://www.mdpi.com/journal/ijms/special_issues/4UZQ13C4PW）

研究方向
（1）基于人工智能技术的药物设计
（2）基于分子模拟技术的药物发现与作用机制研究

代表论文（#共同第一作者，*通讯作者）

(1) Sutong Xiang, Zhe Wang, Qirui Deng, Rongfan Tang, Qinghua Wang, Yang Yu, Tingjun Hou*, Haiping Hao*, Huiyong Sun*, Shared Interaction Pathways of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors, Cell Reports Physical Science, 2025, 6, 102352.

(2) Wanfeng Xu, Yun Wang, Shuang Cui, Qiuling Zheng, Yanghao Lin, Qingqing Cui, Yuxin Xie, Yuming Zeng, Chuan Zhang, Yujie Li, Xin Jin, Minna Qin, Huiyong Sun*, Haiping Hao*, Lijuan Cao*, Methylcobalamin Protects Against Liver Failure via Engaging Gasdermin E, Nature Communications, 2025, 16, 1233.

(3) Kexin Xu, Jingxuan Ge, Rongfan Tang, Tingjun Hou*, Huiyong Sun*, Dynamic Characteristics of Proteolysis-Targeting Chimera Systems Revealed by In Silico Computations, Current Opinion in Structural Biology, 2025, 95, 103151.

(4) Kaimo Yang, Dejun Jiang, Qirui Deng, Sutong Xiang, Jingxuan Ge, Kexin Xu, Zhiliang Jiang, Zihao Wang, Chen Yin, Youqiao Qian, Tingjun Hou*, Huiyong Sun*,  A Unified Deep Graph Model for Identifying the Molecular Categories of Ligands Targeting Nuclear Receptors, Journal of Chemical Information and Modeling, 2025, 65, 5481-5494.

(5) Zhiliang Jiang, Mingyun Shen, Zhe Wang, Sutong Xiang, Qirui Deng, Kexin Xu, Kaimo Yang, Chen Yin, Zihao Wang, Tingjun Hou*, Huiyong Sun*, How to Efficiently Characterize the Interaction Pathways of Protein-Ligand Recognition? A Comparative Analysis on Enhanced Sampling Approaches, Journal of Chemical Physics, 2025.

(6) Jingxuan Ge, Chang-Yu Hsieh, Meijing Fang, Huiyong Sun*, Tingjun Hou*, Development of PROTACs Using Computational Approaches, Trends in Pharmacological Sciences, 2024, 45, 1162-1174.

(7) Qirui Deng, Zhe Wang, Sutong Xiang, Qinghua Wang, Yifei Liu, Tingjun Hou*, Huiyong Sun*, RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning, Journal of Chemical Information and Modeling, 2024, 64, 6432-6449.

(8) Kexin Xu, Zhe Wang, Sutong Xiang, Rongfan Tang, Qirui Deng, Jingxuan Ge, Zhiliang Jiang, Kaimo Yang, Tingjun Hou*, Huiyong Sun*, Characterizing the Cooperative Effect of PROTAC Systems with End-Point Binding Free Energy Calculation, Journal of Chemical Information and Modeling, 2024, 64, 7666-7678.

(9) Lingling Wang, Shu Li, Sutong Xiang, Huanxiang Liu*, Huiyong Sun*, Elucidating the Selective Mechanism of Drugs Targeting Cyclin-Dependent Kinases with Integrated MetaD-US Simulation, Journal of Chemical Information and Modeling, 2024, 64, 6899-6911.

(10) Qinghua Wang, Zhe Wang, Qirui Deng, Sutong Xiang, Rongfan Tang, Yang Yu, Tingjun Hou*, Haiping Hao*, Huiyong Sun*, Discriminating Functional and Non-functional Nuclear-Receptor Ligands with A Conformational Selection-Inspired Machine-Learning Algorithm, Cell Reports Physical Science, 2023, 4, 101466.

(11) Rongfan Tang, Zhe Wang, Sutong Xiang, Lingling Wang, Yang Yu, Qinghua Wang, Qirui Deng, Tingjun Hou*, Huiyong Sun*, Uncovering the Kinetic Characteristics and Degradation Preference of PROTAC Systems with Advanced Theoretical Analyses, JACS Au, 2023, 3, 1775-1789. 

(12) Yang Yu, Zhe Wang, Lingling Wang, Qinghua Wang, Rongfan Tang, Sutong Xiang, Qirui Deng, Tingjun Hou*, Huiyong Sun*, Deciphering the Shared and Specific Drug Resistance Mechanisms of Anaplastic Lymphoma Kinase via Binding Free Energy Computation, Research, 2023, 6, 0170.

(13) Lingling Wang, Lei Xu, Zhe Wang, Tingjun Hou*, Haiping Hao*, Huiyong Sun*, Cooperation of Structural Motifs Controls Drug Selectivity in Cyclin-Dependent Kinases: An Advanced Theoretical Analysis, Briefings in Bioinformatics, 2023, 24, bbac544. 

(14) Sutong Xiang, Zhe Wang, Rongfan Tang, Lingling Wang, Qinghua Wang, Yang Yu, Qirui Deng, Tingjun Hou*, Haiping Hao*, Huiyong Sun*, Exhaustively Exploring the Prevalent Interaction Pathways of Ligands Targeting the Ligand-Binding Pocket of Farnesoid X Receptor via Combined Enhanced Sampling, Journal of Chemical Information and Modeling, 2023, 63, 7529-7544.

(15) Qinghua Wang, Zhe Wang, Sheng Tian, Lingling Wang, Rongfan Tang, Yang Yu, Jingxuan Ge, Tingjun Hou*, Haiping Hao*, Huiyong Sun*, Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning, Journal of Chemical Information and Modeling, 2022, 62, 3993-4007. 

(16) Yang Yu, Zhe Wang, Lingling Wang, Sheng Tian, Tingjun Hou*, Huiyong Sun*, Predicting the Mutation Effects of Protein-Ligand Interactions via End-Point Binding Free Energy Calculations: Strategies and Analyses, Journal of Cheminformatics, 2022, 14, 56.

(17) Rongfan Tang, Pengcheng Chen, Zhe Wang, Lingling Wang, Haiping Hao*, Tingjun Hou*, Huiyong Sun*, Characterizing the Stabilization Effects of Stabilizers in Protein-Protein Systems with End-Point Binding Free Energy Calculations, Briefings in Bioinformatics, 2022, 23, bbac127. 

(18) Jike Wang, Dongsheng Cao, Cunchen Tang, Lei Xu, Qiaojun He, Bo Yang, Xi Chen*, Huiyong Sun*, Tingjun Hou*, DeepAtomicCharge: A New Graph Convolution Network-based Architecture for Accurate Prediction of Atomic Charges, Briefings in Bioinformatics, 2021, 22, bbaa183. (入选《人工智能与药物设计》章节教材)

(19) Jike Wang, Dongsheng Cao, Cunchen Tang, Xi Chen*, Huiyong Sun*, Tingjun Hou*, Fast and Accurate Prediction of Partial Charges Using Atom-Path-Descriptor-based Machine Learning, Bioinformatics, 2020, 36, 4721-4728. (入选《人工智能与药物设计》章节教材)

(20) Ercheng Wang#, Huiyong Sun#, Junmei Wang, Zhe Wang, Hui Liu, John Z.H. Zhang*, Tingjun Hou*, End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design, Chemical Reviews, 2019, 119, 9478-9508. (封面论文，Faculty of 1000推荐论文，ESI高引论文)