简历
1987-1991，四川轻化工大学工业分析专业，工学学士
1991-1995，中国天府可乐集团公司工作，技术员
1995-1998，四川大学分析化学专业，理学硕士
2000-2004，四川大学物理化学专业，理学博士
2002-2003，香港浸会大学化学系，访问****
1998~2010，四川大学化学学院，讲师，副教授
2010~至今，四川大学化学学院，教授
2011~至今，四川大学化学学院，博士生导师


学术任职：
中国化学会计算(机)化学专业委员会委员
Interdiscip Sci-Comp Life Sci国际SCI期刊的编委

主要研究方向
结合实验、机器学习算法和计算模拟的交叉技术研究
1. 肿瘤基因的识别、靶标蛋白结构性能的研究及计算机辅助药物设计



2. 基于人工智能的含能材料的波谱解析、分子设计和性能研究






主要工作业绩
2 科研工作：2010年以来作为负责人主持了8项国家级项目（包括5项国家自然科学基金）和两项四川省科技项目以及多项横向课题，发表了一百余篇SCI论文，获得2项国家计算机软件著作权，申请了6项专利（已授权3项），所建立的人工智能驱动的新分析方法和设计策略已在相关单位和研究所得到实际应用和推广。
2 教学工作：承担三门本科基础化学课程和一门博士生“化学前沿”的教学任务，主持了10项省级和校级教改项目。近年来发表教改论文近二十篇，主编出版了两本教材(四川省十二五规划教材和四川大学优秀教材)，获得了四川省教学成果三等奖和四川大学校级教学成果一等奖(两次)，荣获四川大学教学卓越奖，宝钢优秀教师奖。
2 所获荣誉和奖励
1) 2003年：四川大学实德教师
2) 2005、2007和 2009年：四川大学青年骨干教师
3) 2009年：四川大学教学成果一等奖 (排名第二)
4) 2010年：四川省教学成果奖三等奖 (排名第二)
5) 2011年：四川大学优秀教师
6) 2012年：四川大学唐立新教学名师
7) 2013年：本科生优秀毕业论文指导奖
8) 2013年：第八届教学名师培养对象
9) 2013年：大学生课外科技实践活动优秀指导教师
10) 2014年：第十一批四川省学术和技术带头人后备人选
11) 2015年：本科教学“课题教学质量优秀奖”
12) 2015年：四川大学“巾帼建功立业先进个人”
13) 2016年：四川大学大学生课外科技实践活动优秀指导教师
14) 2016、2017和2018年：学生学术型社团指导教师标兵奖
15) 2017年：四川大学教学成果一等奖(排名第一)
16) 2017年：本科教学“课题教学质量优秀奖”
17) 2017年：宝钢优秀教师奖
18) 2017年：四川大学教学卓越奖
19) 2018年：大学生创新创业教育优秀指导教师
20) 2018年：学生学术型社团指导教师标兵奖
21) 2019年：本科生优秀毕业论文指导奖


著 作：
1. 蒲雪梅，陈华主编，大学化学实验，化学工业出版社，2015
2. 李梦龙，蒲雪梅主编，分析化学数据速查手册，化学工业出版社，2009


主持的科研项目
1. 2018-2020：压装PBX炸药结构、组成同力学性能间关系模型的建立，国家自然科学基金(NSAF)，负责人
2. 2018-2020：基于SAR数据的环境与目标认知技术，中国科学院电子学研究所，负责人
3. 2018-2020：含能共晶体系的人工智能预测模型的开发，中国工作物理研究院化工材料研究所，负责人
4. 2016-2019：G蛋白偶联受体二聚体相互作用及配体调控的分子机制，国家自然科学基金(面上)，负责人
5. 2013-2016：一些重要A族G蛋白偶联受体激活机制及其配体影响作用的理论研究，国家自然科学基金(面上)，负责人
6. 2013-2015：基于PBX 炸药波谱结构解析的化学计量学方法研究，国家自然科学基金(NSAF)，负责人
7. 2010-2012：水量调控有机相丝氨酸蛋白酶催化活性分子机制的理论研究，国家自然科学基金(面上)，负责人
8. 2015-2016：炸药快速识别和测定的新方法及计算机专家智能系统的构建，四川省科技支撑项目，负责人
9. 2011-2013：非水相蛋白酶在手性药物拆分中催化性能的分子机制研究，四川省国际合作项目，负责人

代表性成果
(获奖成果、专著、论文、专利)
近期代表性的SCI论文(共发表了100余篇SCI论文)


1. Liting Shen, Yuan Yuan, Yanzhi Guo, Menglong Li, Chuan Li, Xuemei Pu*, Probing the Druggablility on the Interface of the Protein-protein Interaction and its Allosteric Regulation Mechanism on the Drug Screening for the CXCR4 Homodimer, Frontiers in Pharmacology, 2019, 10: 1310
2. Yu Liang, Li He, Yiru Zhao, Yingyi Hao, Yifan Zhou, Menglong Li, Chuan Li, Xuemei Pu*, Zhining Wen*, Comparative Analysis for the Performance of Variant Calling Pipelines on Detecting the de novo Mutations in Humans, Frontiers in Pharmacology, 2019, 10: 358.
3. Fuhui Zhang, Yuan Yuan, Minghui Xiang , Yanzhi Guo , Menglong Li ,Yijing Liu, Xuemei Pu*, Molecular Mechanism regarding Allosteric Modulation of Ligand Binding and the Impact of Mutations on Dimerization for CCR5 Homodimer. Journal of chemical information and modeling 2019. 59, 1965-1976.
4. Yinjie Xie , Wenxin Dai , Zhenxin Hu , Yijing Liu , Chuan Li*, and Xuemei Pu*, A Novel Convolutional Neural Network Architecture for SAR Target Recognition, Journal of Sensors, 2019, Article ID **, 9 pages.
5. Xiao Qin, Ming Li, Minghui Xiang, Yi Luo, Yan Jiao, Rongao Yuan,Ning Wang, Zhiyun Lu* and Xuemei Pu*, Probing effects of the number and positions of -OCH? and -CN substituents on color tuning of Ir (III) complex derivatives through a joint study of computation and experiment, ChemPhysChem, 2019, 20, 470-481
6. Longrong Wang, Yuan Yuan, Xin Chen, Jiangfan Chen, Yanzhi Guo, Menglong Li, Chuan Li and Xuemei Pu*, Probing the cooperative mechanism of the μ-δ opioid receptor heterodimer by multiscale simulation, Physical Chemistry Chemical Physics, 2018, 20, 29969--29982
7. Liyun Zhang, Yuan Yuan , Tian Ren, Yanzhi Guo, Chuan Li*, Xuemei Pu*, Shining Light on Molecular Mechanism for Odor-selectivity of CNT-immobilized Olfactory Receptor. Scientific Reports 2018, 8:7824.
8. Xi Zhang, Yuan Yuan, Longrong Wang, Yanzhi Guo, Menglong Li, Chuan Li*, Xuemei Pu*: Use multiscale simulation to explore the effects of the homodimerizations between different conformation states on the activation and allosteric pathway for the μ-opioid receptor. Physical Chemistry Chemical Physics, 2018, 19：13485-13496.
9. Fuhui Zhang, Yuan Yuan, Haiyan Li, Liting Shen, Yanzhi Guo, Zhining Wen*, Xuemei Pu*, Using accelerated molecular dynamics simulation to shed light on the mechanism of activation/deactivation upon mutations for CCR5, RSC Advances, 2018, 8, 37855 – 37865
10. Xuan He,* Yu Liu, Shiliang Huang, Yi Liu, Xuemei Pu * and Tao Xu *, Raman spectroscopy coupled with principal component analysis to quantitatively analyze four crystallographic phases of explosive CL-20, RSC Advances., 2018, 8, 23348
11. Yihuan Zhao, YuanYuan, Jianfang Chen, MenglongLi, XuemeiPu,* Chemometrics-enhanced high performance liquid chromatography strategy for simultaneous determination on seven nitroaromatic compounds in environmental water, Chemometrics and Intelligent Laboratory Systems,2018, 174, 149-155
12. Tao Liang, Yuan Yuan, Ran Wang, Yanzhi Guo, Menglong Li, Xuemei Pu,* and Chuan Li*, Structural Features and Ligand Selectivity for 10 Intermediates in the 2 Activation Process of β2-Adrenergic Receptor，ACS OMEGA，2017, 2, 8557 ? 8567
13. Suqing Li, Bin Li, Yuanting Zheng, Menglong Li, Leming Shi* and Xuemei Pu*, Exploring functions of long noncoding RNAs across multiple cancers through co-expression network, Scientific Reports, 2017, 7:754
14. Liyun Zhang, Yuzhi Li, YuanYuan, Yuanyuan Jiang, Yanzhi Guo, Menglong Li, Xuemei Pu*, Molecular mechanism of carbon nanotube to activate Subtilisin Carlsberg in polar and non-polar organic media, Scientific Reports, 2016, 6:36838
15. Nan Gao, Tao Liang, Yuan Yuan, Xiuchan Xiao, Yihuan Zhao, Yanzhi Guo, Menglong Li, Xuemei Pu*, Exploring mechanism of F282L mutation-caused constitutive activity of GPCR by a computational study, Physical Chemistry Chemical Physics, 2016, 18, 29412 - 29422
16. Yuanyuan Jiang , Yuan Yuan, Xi Zhang, Tao Liang, Yanzhi Guo, Menglong Li, Xumei Pu*, Use of network model to explore dynamic and allosteric properties of three GPCR homodimers, RSC Advances., 2016, 6, 106327 - 106339.
17. Xiaojun Zeng, Liyun Zhang , Xiuchan Xiao , Yuanyuan Jiang , Yanzhi Guo, Xinyan Yu, Xuemei Pu*, Menglong Li*, Unfolding mechanism of thrombin-binding aptamer revealed by molecular dynamics simulation and Markov State Model. Scientific Reports, 2016, 6, 24065
18. Jing Yi, Ying Xiong, Kemei Cheng, Menglong Li, Genbai Chu, Xuemei Pu*, Tao Xu*, A Combination of Chemometrics and Quantum Mechanics Methods Applied to Analysis of Femtosecond Transient Absorption Spectrum of Ortho-Nitroaniline, Scientific Reports, 2016, 6:19364.
19. Yan Jiao, Ming Li, Ning Wang, Tao Lu, Liang Zhou, Yan Huang, Zhiyun Lu,* Daibing Luo, and Xuemei Pu*, A facile color-tuning strategy for constructing a library of Ir(III) complexes with fine-tuned phosphorescence from bluish green to red using synergetic substituent effect of –OCH₃ and –CN at merely the C-ring of C^N ligand, Journal of Material Chemistry C, 2016, 4, 4269-4277
20. Minqi Wang, Xuan He, Qin Xiong, Runyu Jing, Yuxiang Zhang, Zhining Wen, Qifan Kuang, Xuemei Pu*, Menglong Li and Tao Xu, A facile strategy applied to simultaneous qualitative-detection on multiple components of mixture samples: a joint study of infrared spectroscopy and multi-label algorithms on PBX explosives, RSC Advances, 2016, 6, 4713–4722
21. Tao Lu, Yuan Yuan, Yan Jiao, Zhining Wen, Lu Wang, Yihuan Zhao, Yuxiang Zhang, Menglong Li, Xuemei Pu*, Tao Xu, Simultaneous spectrophotometric quantification of dinitrobenzene isomers in water samples using multivariate calibration methods, Chemometrics and Intelligent Laboratory Systems, 2016, 154, 72-79.
22. Liyun Zhang, Xiuchan Xiao, Yuan Yuan, Yanzhi Guo, Menglong Li, Xuemei Pu,* Probing Immobilization Mechanism of alpha-chymotrypsin onto Carbon Nanotube in Organic Media by Molecular Dynamics Simulation, Scientific Reports, 2015, 5: 9297
23. Yayun Hu, Yanzhi Guo,* Yinan Shi, Menglong Li and Xuemei Pu*, A consensus subunit-specific model for annotation of substrate specificity for ABC transporters, RSC Advances, 2015, 5, 42009–42019
24. Xiuchan Xiao, Xiaojun Zeng, Yuan Yuan, Nan Gao, Yanzhi Guo, Xuemei Pu*, Menglong Li*, Understanding the conformation transition in the activation pathway of β2 adrenergic Receptor via Target Molecular Dynamics Simulation. Physical Chemistry Chemical Physics, 2015, 17, 2512 – 2522
25. Yunqing Chen, Yi Wang, Yuan Yuan, Yan Jiao, Xuemei Pu,* and Zhiyun Lu, Deactivation Mechanism of a Novel AIE-active Naphthalimide Derivative in More Polar Solutions. Physical Chemistry Chemical Physics, 2015, 17, 1309 – 1316
26. Tao Lu, Yuan Yuan, Xuan He, Menglong Li, Xuemei Pu*, Tao Xu*, Zhining Wen, Simultaneous determination of multicomponent in explosives using ultraviolet spectrophotometry and partial least square method, RSC advances, 2015, 5, 13021 – 13027
27. Tao Lu, Zhining Wen, Lu Wang, Xuan He, Yuan Yuan, MinqiWang, Yihuan Zhao, Menglong Li, Xuemei Pu*, Tao Xu*, Quantitative determination on binary-component polymer bonded explosives: A joint study of ultraviolet spectrophotometry and multivariate calibration methods, Chemometrics and Intelligent Laboratory Systems, 2015, 147, 131–138