柳树群 研究员 硕士生导师
“西部之光”访问学者
云南省中青年学术技术带头人
云南大学东陆学者
Email: shuqunliu@ynu.edu.cn
个人简介：
柳树群，博士，云南大学，省部共建云南生物资源保护与利用国家重点实验室，研究员。长期致力于结构生物信息学的前沿研究，核心研究领域包括蛋白质折叠与动力学、蛋白质-配体结合机制、计算机辅助药物设计与虚拟筛选，以及化合物活性与药代动力学性质的精准预测。近年来积极探索AI 驱动的蛋白质-配体相互作用算法开发与集成。研究成果先后荣获云南省自然科学特等奖、一等奖和三等奖等奖项。以第一作者或通讯作者身份在SCI 期刊上发表论文50 余篇，其中包含ESI 高被引论文，总被引用次数已逾3000 次。
招生专业：
生物信息学硕士
生物化学与分子生物学硕士
研究方向：
1. 生物大分子结构预测与动力学-功能关系研究
2. AI驱动的蛋白质设计与改造
3. AI赋能的虚拟筛选与新药创制
代表性研究成果：
1. Shi YH, Shen JX, Tao Y, Xia YL, Zhang ZB, Fu YX, Zhang KQ, Liu SQ*. Dissecting the binding affinity of anti-SARS-CoV-2 compounds to human transmembrane protease, serine 2: A computational study. International Journal of Molecular Sciences. 2025, 26(2):587.
2. Xia YL, Du WW, Li YP, Tao Y, Zhang ZB, Liu SM, Fu YX, Zhang KQ, Liu SQ*. Computational insights into SARS-CoV-2 main protease mutations and nirmatrelvir efficacy: The effects of P132H and P132H-A173V. Journal Chemical Information and Modeling. 2024, 64(13):5207-5218.
3. Shen JX, Du WW, Xia YL, Zhang ZB, Yu ZF, Fu YX, Liu SQ*. Identification of and mechanistic insights into SARS-CoV-2 main protease non-covalent Inhibitors: An in-silico study. International Journal of Molecular Sciences. 2023, 24(4):4237.
4. Zhang ZB, Xia YL, Shen JX, Du WW, Fu YX, Liu SQ*. Mechanistic origin of different binding affinities of SARS-CoV and SARS-CoV-2 spike RBDs to human ACE2. Cells. 2022, 11(8):1274.
5. Xia YL, Li W, Li Y, Ji XL, Fu YX, Liu SQ*. A deep learning approach for predicting antigenic variation of influenza A H3N2. Computational and Mathematical Methods in Medicine. 2021, 2021: 9997669.
6. Xia YL, Li YP, Fu YX, Liu SQ*. The energetic origin of different catalytic activities in temperature-adapted trypsins. ACS Omega, 2020, 5(39): 25077-25086.
7. Li Y, Deng L, Liang J, Dong GH, Xia YL, Fu YX, Liu SQ*. Molecular dynamics simulations reveal distinct differences in conformational dynamics and thermodynamics between the unliganded and CD4-bound states of HIV-1 gp120. Physical Chemistry Chemical Physics. 2020, 22(10):5548-5560. doi: 10.1039/c9cp06706j.
8. Xia YL, Sun JH, Ai SM, Li Y, Du X, Sang P, Yang LQ, Fu YX, Liu SQ*. Insights into the role of electrostatics in temperature adaptation: a comparative study of psychrophilic, mesophilic, and thermophilic subtilisin-like serine proteases. RSC Advances, 2018, 8(52): 29698-29713.
9. Du X, Li Y, Xia YL, Ai SM, Liang J, Sang P, Ji XL, Liu SQ*. Insights into protein-ligand interactions: Mechanisms, models, and methods. International Journal of Molecular Sciences. 2016, 17(2), 144.
10. Li HM, Xie YH, Liu CQ, Liu SQ*. Physicochemical bases for protein folding, dynamics, and protein-ligand binding. Science China Life Sciences. 2014, 57(3):287-302.
