徐定國，理學博士，四川大學化學學院教授,博士生導師。
徐定國：男，四川大學化學學院教授,博士生導師。1977年11月出生。1998年畢業於四川大學，獲學士學位。2003年在四川大學獲博士學位。2003-2008年在美國新墨西哥大學化學系郭華教授組開展博士後研究，主要研究有機金屬不對稱催化機理和酶催化反應動力學的模擬。2008年5月到四川大學化學學院任教授。目前的研究興趣包括纖維素微晶結構以及被纖維素酶識別的機理分子模擬研究，含金屬的生物蛋白酶的催化反應機理的理論研究，已發表學術論文40餘篇，其中J. Am. Chem. Soc. 5篇，J. Biol. Chem. 1篇等。目前承擔國家自然科學基金兩項，入選2010年教育部“新世紀優秀人才支持計畫”。
2008.5- 現在 四川大學化學學院教授,博士生導師
2003.8-2008.4 新墨西哥大學化學與化學生物系 博士後
1998.9-2003.6 四川大學化學學院 獲理學博士學位
1994.9-1998.6 四川大學化學系 獲理學學士學位
主要研究方向
生物蛋白酶的催化反應動力學模擬
生物質能源轉化中的理論問題
主要工作業績
代表性成果 （獲獎成果、專著、論文、專利）
1. Xuemei Wang, Shanshan Wu, Dingguo Xu*, Daiqian Xie and Hua Guo, Inhibitor and Substrate Binding by Angiotensin-Converting Enzyme: Quantum Mechanical/Molecular Mechanical Molecular Dynamics Studies, J. Chem. Inf. Model., 2011, accepted for publication
2. Christopher R. Smith, Gregory K. Smith, Zhenxiao Yang, Dingguo Xu and Hua Guo, Quantum mechanical/molecular mechanical study of anthrax lethal factor catalysis, Theor. Chem. Acc., 2011, 128, 83-90
3. Shanshan Wu, Dingguo Xu* and Hua Guo, QM/MM Studies of Monozinc ?-Lactamase CphA Suggest That the Crystal Structure of an Enzyme-Intermediate Complex Represents a Minor Pathway, J. Am. Chem. Soc., 2010, 132, 17986-17988
4. Shanshan Wu, Chunchun Zhang, Dingguo Xu* and Hua Guo, Ester Hydrolysis Catalyzed by Carboxypeptidase A: Promoted Water vs Anhydride Pathways, J. Phys. Chem. B, 2010, 114, 9259–9267
5. Jingli Liu, Xuemei Wang and Dingguo Xu*, QM/MM study on the catalytic mechanism of cellulose hydrolysis catalyzed by cellulase Cel5A from Acidothermus cellulolyticus, J. Phys. Chem. B, 2010,114,1462-1470.
6. Gregory K. Smith, Zhihong Ke, Alvan C. Hengge, Dingguo Xu, Daiqian Xie,and Hua Guo, Active-site dynamics of SpvC virulence factor from Salmonella Typhimurium and density functional theory study of phosphothreonine lyase catalysis J. Phys. Chem. B, 2009, 113, 15327-15333
7. Dingguo Xu*, Hua Guo, Quantum mechanical/molecular mechanical and density functional theory studies of a prototypical zinc peptidase (carboxypeptidase A) suggest a general acid-general base mechanism, J. Am. Chem. Soc. (2009)131, 9780–9788
8. 徐定國*，鄢國森，L1 ?-Lactamase催化反應機理研究，高等學校化學學報，(2008)30,2453-2456
9. Ling Li, Zhimin Li, Canhui Wang, Dingguo Xu, P. S. Mariano, Hua Guo, and D. Dunaway-Mariano, The electrostatic driving force for covalent catalysis in L-arginine deiminase: A combined experimental and theoretical study, Biochem., (2008) 47, 4721–4732
10. Linsen Pei, Jie Zhang, Wei Kong, Dingguo Xu, Hua Guo, Polarization spectroscopy of aluminum phthalocyanine hydroxide embedded in superfluid helium droplets, Chem. Phys. Lett., (2008) 462,173–177
11. Sulan Zhou, Daiqian Xie, Dingguo Xu, Hua Guo, Robert W. Field, Theoretical Emission Spectra of HNC(A1A”) on a New Ab Initio Potential Energy Surface. Chem. Phys. Lett., (2008) 455,145–150
12. Dingguo Xu, Hua Guo, Ab initio QM/MM Studies of the Phosphoryl Transfer Reaction Catalyzed PEP Mutase Suggest a Dissociative Metaphosphate Transition State. J. Phys. Chem. B, (2008) 112, 4102-4108.
13. Dingguo Xu, Hua Guo and Qiang Cui, Deactivation of Penicillin by Dizinc ?-Lactamase: Mechanistic Insights from QM/MM and DFT Studies. J. Am. Chem. Soc., (2007), 129, 10814-10822
14. Dingguo Xu, Hua Guo and Qiang Cui, Antibiotic Binding to Dizinc ?-Lactamase L1 from Stenotrophomonas maltophilia: SCC-DFTB/CHARMM and DFT studies, J. Phys. Chem. A (2007) 111, 5630-5636.
15. Canhui Wang, Dingguo Xu, Lidong Zhang, Daiqian Xie and Hua Guo, Molecular Dynamics Functional Studies of Substrate Binding and Catalysis of Arginine Deiminase. J. Phys. Chem. B (2007) 111, 3267-3273.
16. Lidong Zhang, Daiqian Xie, Dingguo Xu and Hua Guo, Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate. Chem. Comm. (2007) 1638-1640.
17. Demian Riccardi, Patricia Schaefer, Yang Yang, Haibo Yu, Nilanjan Ghosh, Xavier Prat-Resina, Peter K?nig, Guohui Li, Dingguo Xu, Hua Guo, Marcus Elstner, and Qiang Cui, (feature article) Development of Effective Quantum Mechanical/Molecular Mechanical (QM/MM) Methods for Complex Biological Processes, J. Phys. Chem. B (2006) 110, 6458-6469.
18. Dingguo Xu, Daiqian Xie, and Hua Guo, Catalytic Mechanism of Biapenem Hydrolysis by a Class B2 ?-Lactamase (CphA from Aeromonas hydrophila) Studied by Quantum Mechanical/Molecular Mechanical and Density Functional Methods, J. Biol. Chem. (2006) 281, 8740-8747.
19. Lidong Zhang, Daiqian Xie, Dingguo Xu and Hua Guo, Reactivity of Metaphosphate and Thiometaphosphate in water: a DFT stud
