博士毕业于德克萨斯州大学艾尔帕索分校计算科学专业，目前主要从事计算生物物理研究。通过结合机器学习等，揭示不同生物大分子结构、功能、动态调控过程等的分子机制，开发了生物大分子构型变化模拟方法、离子位点预测软件（HIT系列）等。近年来, 在JCTC, Brief. Bioinform., Cell Rep. Phys. Sci. CSBJ. 等国际知名杂志上发表SCI论文30余篇。Google Scholar: https://scholar.google.com/citations?user=vAbIUiEAAAAJ&hl=en

代表性论文

1.       Sun S, Lin J, Zhuang Y, Li C, Huang C, Chen Y, Chen W, Chen G, Gan M, Hu D, Liao Q. Biomolecular structural k-means clustering method decodes the binding pattern between microtubules and intrinsically disordered CKAP4. Cell Reports Physical Science. 2025 Jun 11.

1.       Sun S, Rodriguez G, Zhao G, Sanchez JE, Guo W, Du D, et al. A novel approach to study multi-domain motions in JAK1’s activation mechanism based on energy landscape. Briefings in bioinformatics. 2024;25(2):bbae079.

2.       Sun S, Xu H, Xie Y, Sanchez JE, Guo W, Liu D, et al. HIT-2: Implementing machine learning algorithms to treat bound ions in biomolecules. Computational and Structural Biotechnology Journal. 2023;21:1383-9.

3.       Sun S, Lopez JA, Xie Y, Guo W, Liu D, Li L. HIT web server: A hybrid method to improve electrostatic calculations for biomolecules. Computational and Structural Biotechnology Journal. 2022;20:1580-3.

4.       Sun S, Karki C, Gao BZ, Li L. Molecular mechanisms of cardiac actomyosin transforming from rigor state to post-rigor state. The Journal of Chemical Physics. 2022;156(3).

5.       Sun S, Karki C, Xie Y, Xian Y, Guo W, Gao BZ, et al. Hybrid method for representing ions in implicit solvation calculations. Computational and structural biotechnology journal. 2021;19:801-11.

6.       Sun S, Karki C, Aguilera J, Lopez Hernandez AE, Sun J, Li L. Computational study on the function of palmitoylation on the envelope protein in SARS-CoV-2. Journal of chemical theory and computation. 2021;17(10):6483-90.