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）研究方向，累计发表SCI论文100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9000余次，H因子为42，相关第一作者/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）。

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

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. (IF=7.9)

(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. (IF=14.7)

(3) 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. (IF=13.9)

(4) 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. (IF=5.7)

(5) 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. (IF=5.7)

(6) 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. (IF=5.7)

(7) 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. (IF=7.9)

(8) 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. (IF=8.6)

(9) 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. (IF=8.5)

(10) 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. (IF=6.8)

(11) 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. (IF=5.6)

(12) 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. (IF=5.6)

(13) 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. (IF=8.6)

(14) 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. (IF=9.5)

(15) 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. (IF=14.0，入选《人工智能与药物设计》章节教材)

(16) 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. (IF=6.9，入选《人工智能与药物设计》章节教材)

(17) 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. (IF=52.8，封面论文，Faculty of 1000推荐论文，ESI高引论文)