林绪波，男，博士生导师、硕士生导师，东南大学生物医学工程博士（2014）、美国德克萨斯大学休斯顿健康科学中心医学院博士后（2014-2017）、北航医学科学与工程学院/医工交叉创新研究院副教授/副研究员（2018至今）。曾入选北航医工百人人才计划（2018）、北航第六批青年拔尖人才计划（2018）。

课题组成立于2018年初，主要围绕纳米医学、膜生物物理学以及计算机辅助药物设计开展基础应用研究。近五年在J. Am. Chem. Soc., Nanoscale, J. Chem. Inf. Model., J. Chem. Phys.等杂志发表通讯作者或第一作者论文20余篇，在Cell, Adv. Mater., Biomaterials等杂志上发表其它作者论文多篇。部分工作被著名的生物医学国际组织F1000Prime推荐、遴选为ESI高被引论文以及遴选为J. Chem. Inf. Model.、Langmuir等期刊封面，5篇论文引用大于100次（其中1篇引用近700次）。

课题组研究兴趣：（1）分子生物物理；（2）人工智能生物医药

主要涉及的研究方法：分子动力学模拟、增强采样、分子对接、机器学习、蛋白质结构预测及蛋白质设计等。

招生招聘信息：

1. 欢迎具有生物医学工程、物理学、化学、生物学、计算机或软件等学科背景的学生报考课题组的博士生/硕士生（要求：不焦虑、不内耗、具有较高的思考力和执行力）；

2. 欢迎优秀博士依托学校卓越百人计划申请课题组的博士后。

英文主页：https://linxubo.github.io/

主讲课程：

1. 《系统生物学》：本科生课程、21秋（48课时）、22秋（48课时）、23秋（56课时）、24秋（56课时）

2. 《生物分子模拟》（部分课程录屏）：研究生课程、23秋（32课时）、24秋（32课时）
   

主持的科研项目：

1. 国家自然科学基金委员会-面上项目：气体的多尺度力场开发及脂质纳气泡抗肿瘤物理机制的研究(32371302)，2024/01-2027/12。

2. 国家自然科学基金委员会-青年科学基金项目：靶向PD-L1和PS磷脂的抗肿瘤金纳米材料的分子模拟设计和机制研究(21903002)，2020/01-2022/12。

3. 北航第六批青年拔尖人才计划，抗肿瘤纳米药物的精准设计，2018/01-2022/12。

4. 膜生物学国家重点实验室开放课题：非经典分泌货物调控 TMED10 功能的分子动力学研究(2020KF09)，2020/01-2021/12。

课题组当前成员：

课题组近期发表的主要文章：

（累计发表论文56篇，#相同贡献，*通讯作者）

1. Siya Zhang^#, Hong-yin Wang^#, Xuan Tao^#, Zhongwen Chen, Ilya Levental, Xubo Lin*. Palmitoylation of PD-L1 Regulates Its Membrane Orientation and Immune Evasion. Langmuir, 2025, doi: 10.1021/acs.langmuir.4c04441.

2. Xiaoqian Lin, Xubo Lin*. Regulate PD-L1’s Membrane Orientation Thermodynamics with Hydrophobic Nanoparticles. Biomaterials Science, 2025, 13(3), 826-835.

3. Liuyan Yang^#, Mingdong Liu^#, Lei Qi, Yunhui Liu, Xubo Lin*, Yu-Zhong Zhang*, Qing-Tao Shen*. Annealing synchronizes the TOM complex with Tom7 in a new orientation. Archives of Biochemistry and Biophysics, 2025, 766, 110329.

4. Xiu Li, Yuan He, Yuxuan Wang, Kaidong Lin, Xubo Lin*. CHARMM36 All-atom Gas Model for Lipid Nanobubble Simulation. J. Chem. Inf. Model., 2024, 64, 7503-7512. (Supplementary Cover)

5. Yuxin Sun^#, Xuan Tao#, Yaping Han^#, Xubo Lin, Rui Tian, Haodong Wang, Pei Chang, Qiming Sun, Liang Ge*, Min Zhang*. A dual role of ERGIC-localized Rabs in TMED10-mediated unconventional protein secretion. Nature Cell Biology, 2024, 26, 1077-1092.

6. Xiaoqian Lin^#, Kaidong Lin^#, Shiqi He, Yue Zhou, Xiu Li, Xubo Lin*. Membrane Domain Anti-Registration Induces an Intrinsic Transmembrane Potential. Langmuir, 2023, 39, 11621-11627.

7. Yifei Zhou, Xubo Lin*. Binding Kinetics of Ten Small-Molecule Drug Candidates on SARS-CoV-2 3CLpro Revealed by Biomolecular Simulations. Med. Nov. Technol. Devices, 2023, 20, 100257. (Cover and “Editor Choice Paper”)

8. 林开东, 林晓倩, 林绪波*. 靶向PD-L1蛋白的计算机辅助药物筛选, 物理学报, 2023, 72, 240501.

9. Xiu Li, Shiying Zhou, Xubo Lin*. Molecular View on the Impact of DHA Molecules on Physical Properties of Model Cell Membrane. J. Chem. Inf. Model., 2022, 62, 2421-2431.

10. Baocai Ma, Zuoheng Zhang, Yan Li, Xubo Lin*, Ning Gu*. Evaluation of Interactions between SARS-CoV-2 RBD and Full-length ACE2 with Coarse-Grained Molecular Dynamics Simulations. J. Chem. Inf. Model., 2022, 62, 936-944.

11. Lingbing Yang, Xubo Lin, Jin Zhou, Sen Hou, Xuewei Bi, Li Yang, Linhao Li*, Yubo Fan*. Cell Membrane-Biomimetic Coating via Click-Mediated Liposome Fusion for Mitigating the Foreign-Body Reaction. Biomaterials, 2021, 271, 120768.

12. Xiaoqian Lin, Xubo Lin*. Designing Amphiphilic Janus Nanoparticles with Tunable Lipid Raft Affinity via Molecular Dynamics Simulation. Biomater. Sci., 2021, 9, 8249-8258.

13. Xiaoqian Lin, Xubo Lin*. Surface Ligand Rigidity Modulates Lipid Raft Affinity of Ultra-small Hydrophobic Nanoparticles: Insights from Molecular Dynamics Simulations. Nanoscale, 2021, 13, 9825-9833.

14. Xiaoqian Lin, Xubo Lin*, Ning Gu*. Optimize Hydrophobic Nanoparticles to Better Target Lipid Rafts with Molecular Dynamics Simulations. Nanoscale, 2020, 12, 4101-4109.

15. Xubo Lin*, Alemayehu A. Gorfe*. Transmembrane Potential of Physiologically Relevant Model Membranes: Effects of Membrane Asymmetry. J. Chem. Phys., 2020, 153, 105103.

16. Xiaoqian Lin#, Xiu Li#, Xubo Lin*. A Review on Applications of Computational Methods in Drug Screening and Design. Molecules. 2020, 25, 1375. (谷歌学术引用近700次, ESI高被引论文)

17. Fangzhou Hu, Borislav Angelov, Shuang Li, Na Li, Xubo Lin*, Aihua Zou*. Single‐molecule study of peptides with the same amino acid composition but different sequences using an aerolysin nanopore. ChemBioChem, 2020, 21, 2467-2473.

18. Min Zhang#, Lei Liu#, Xubo Lin, Ying Li, Shulin Li, Yuxin Sun, Di Zhang, Xiachen Lv, Liang Ge*. A translocation pathway for vesicle-mediated unconventional protein secretion. Cell, 2020, 181, 637-652.e15.

19. Siya Zhang, Xubo Lin*. Lipid Acyl Chain cis Double Bond Position Modulates Membrane Domain Registration/Anti-registration. J. Am. Chem. Soc., 2019, 141, 15884-15890. (F1000Prime Recommended)

20. Fujia Tian, Xubo Lin*, Russell P. Valle, Yi Y. Zuo*, Ning Gu*. Poly(amidoamine) Dendrimer as a Respiratory Nanocarrier: Insights from Experiments and Molecular Dynamics Simulations. Langmuir, 2019, 35, 15, 5364-5371. (Supplementary Cover)

21. Xubo Lin* and Alemayehu A. Gorfe*. Understanding Membrane Domain-Partitioning Thermodynamics of Transmembrane Domains with Potential of Mean Force Calculations. J. Phys. Chem. B, 2019, 123, 1009-1016.

22. Jiebo Li#, Qi Zhang#, Li Yan, Guorong Wu, Mingjun Hu*, Xubo Lin*, Kaijun Yuan*, Xueming Yang. Ultrafast Flash Energy Conductance at MXene-Surfactant Interface and Its Molecular Origins. Advanced Materials Interfaces, 2019, 6, 1901461.

23. Xubo Lin, Alemayehu A. Gorfe*, Ilya Levental*. Protein Partitioning into Ordered Membrane Domains: Insights from Simulations. Biophys. J., 2018, 114, 1936-1944.

24. Xubo Lin, Hongyin Wang^#, Zhichao Lou^#, Meng Cao^#, Zuoheng Zhang, Ning Gu*. Roles of PIP2 in the Membrane Binding of MIM I-BAR: Insights from Molecular Dynamics Simulations. FEBS Lett., 2018, 592, 2533-2542.

25. Xubo Lin, Vinay Nair, Yong Zhou, Alemayehu A. Gorfe*. Membrane Potential and Dynamics in a Ternary Lipid Mixture: Insights from Molecular Dynamics Simulations. Phys. Chem. Chem. Phys., 2018, 20, 15841-15851.

26. Yang Wang#, Cecylia Severin Lupala#, Haiguang Liu*, Xubo Lin*. Identification of Drug Binding Sites and Action Mechanisms with Molecular Dynamics Simulations. Current Topics in Medicinal Chemistry, 2018, 18, 2268-2277. (Invited Review)

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