劉永軍

2001.11-2004.06 加拿大Simon Fraser University, 化學系，博士後

1998.09-2001.06 山東大學，化學與化工學院，物理化學專業，理學博士學位

1985.09-1988.06 延邊大學，理學院化學系, 有機化學專業，理學碩士學位

1981.09-1985.06 曲阜師範大學，化學與化工學院，化學專業，理學學士學位 ^[1] 

2004.10-至今山東大學化學與化工學院，教授, 物理化學專業, 博士生導師。

1988-2004 曲阜師範大學化學院工作，1992年晉升為講師、1995年破格晉升為副教授、1998年破格晉升為教授。

2006年入選中國科學院“百人計劃”，2006-2012期間，兼任中國科學院西北高原生物研究所研究員。

2015年7月至今，兼任英國皇家化學會RSC Advances期刊副主編。 ^[1] 

結構化學（本科生），無機及分析化學實驗（本科生），計算量子化學（研究生）. ^[1] 

1.酶催化反應機理研究

主要採用理論化學方法對一些重要蛋白酶的催化機理進行研究，重點探討活性中心進行的化學反應過程、各種中間體和過渡態的結構和能量關係，研究重要殘基對催化反應的影響規律，為酶催化反應的實驗研究、酶工程奠定重要的理論基礎。

2.金屬有機催化反應研究

主要採用理論化學方法研究一些新穎的有機金屬催化劑的催化反應機理，包括反應的立體選擇性和區域選擇性活性研究，設計活性更高的催化劑。

3.功能材料體系的理論計算與分子模擬

主要採用量子化學方法對一些重要功能材料的結構-性能關係進行研究，設計性能更優的功能材料。 ^[1] 

發表的代表性論文：

1. Ge Tian, Hao Su, and Yongjun Liu*.Mechanism of Sulfoxidation and C−S Bond Formation Involved in the Biosynthesis of Ergothioneine Catalyzed by Ergothioneine

Synthase (EgtB). ACS Catalysis. 2018, 8, 5875-5889.

2. Hao Su, Xiang Sheng, Wenyou Zhu, Guangcai Ma, and Yongjun Liu*.Mechanistic Insights into the Decoupled Desaturation and Epoxidation Catalyzed by Dioxygenase AsqJ Involved in the Biosynthesis of Quinolone Alkaloids. ACS Catalysis. 2017, 7, 5834-5843.

3. Beibei Lin, Guangcai Ma, and Yongjun Liu*. Mechanism of the Glutathione Persulfide Oxidation Process Catalyzed by Ethylmalonic Encephalopathy Protein 1. ACS Catalysis. 2016, 6, 7010-7020.

4. Guangcai Ma, Wenyou Zhu, Hao Su, Na Cheng, Yongjun Liu*.Uncoupled Epimerization and Desaturation by Carbapenem Synthase: Mechanistic Insights from QM/MM Studies. ACS Catalysis. 2015, 5, 5556-5566.

5. Wenyou Zhu, Yongjun Liu*.Ring Contraction Catalyzed by the Metal-Dependent Radical SAM Enzyme: 7‑Carboxy-7-deazaguanine Synthase from B. multivorans. Theoretical Insightsinto the Reaction Mechanism and the Influence of Metal Ions. ACS Catalysis. 2015, 5, 3953-3965.

6. Xiaohua Chen*, Guangcai Ma, Weichao Sun, Hongjing Dai, DongXiao, Yangfang Zhang, Xin Qin, YongjunLiu*, Yuxiang Bu. Water promoting electron hole transport betweentyrosine and cystein in proteins via special mechanism: Double proton coupledelectron transfer. J. Am. Chem. Soc. 2014, 136, 4515-4524.

7. Xiya Wang, Junyou Shi, and Yongjun Liu*. Oxidative Rearrangement Mechanism of Pentalenolactone F Catalyzed by Cytochrome P450 CYP161C2 (PntM). Inorg. Chem. 2018, 57, 8933-8941.

8. Hao Su, Guangcai Ma, and Yongjun Liu*. Theoretical Insights into the Mechanism and Stereoselectivity of Olefin Cyclopropanation Catalyzed by Two Engineered Cytochrome

P450 Enzymes. Inorg. Chem. 2018, 57, 11738-11745.

9. Jie Bai, Qianqian Hou, Wenyou Zhu, and Yongjun Liu*. Mechanical insights into the oxidative cleavage of resveratrol catalyzed by dioxygenase NOV1: confirmation of dioxygenase mechanism by QM/MM calculations. Catal. Sci. Technol.,2019, 9,444.

10. Hong Li, Xiya Wang, Ge Tian and Yongjun Liu*. Insights into the dioxygen activation and catalytic mechanism of the nickel-containing quercetinase. Catal. Sci. Technol.,2018,

8, 2340.

11. Xiya Wang,Wenyou Zhu and Yongjun Liu*. Tryptophan lyase (NosL): mechanistic insights into amine dehydrogenation and carboxyl fragment migration by QM/MM calculations. Catal. Sci. Technol.,2017, 7, 2846.

12. Xiya Wang, Hao Su and Yongjun Liu*. Insights into the unprecedented epoxidation

mechanism of fumitremorgin B endoperoxidase (FtmOx1) from Aspergillus fumigatus by QM/MM calculations. Phys. Chem. Chem. Phys., 2017, 19, 7668.

13. Ge Tian and Yongjun Liu*. Mechanistic insights into the catalytic reaction of

ferulic acid decarboxylase from Aspergillus niger: a QM/MM study. Phys. Chem. Chem. Phys., 2017, 19, 7733

14. Hao Su, Xiang Sheng and Yongjun Liu*. Exploring the substrate specificity and catalytic mechanism of imidazolonepropionase (HutI) from Bacillus subtilis. Phys.Chem.Chem.Phys., 2016, 18,27928.

15. Shujun Zhang, Xiya Wang and Yongjun Liu*. Cleavage mechanism of the aliphatic C–C bond catalyzed by 2,4-dihydroxyacetophenone dioxygenase from sp. 4HAP: a QM/MM study. Catal. Sci. Technol., 2017, 7,911.

16. Hao Su, Xiang Sheng and Yongjun Liu*.I nsights into the catalytic mechanism of

N-acetylglucosaminidase glycoside hydrolase from Bacillus subtilis: a QM/MM study. Org. Biomol. Chem. 2016, 14, 3432.

17. Wenyou Zhu,Yongjun Liu*, and Baoping Ling. Quantum Mechanics and Molecular Mechanics Study of the Catalytic Mechanism of Human AMSH-LP Domain Deubiquitinating Enzymes. Biochemistry, 2015, 54, 5225-5234.

18. Qianqian Hou, Xiang Sheng, and Yongjun Liu*.QM/MM studies of the mechanism of unusual bifunctional fructose-1,6-bisphosphate aldolase/phosphatase. Phys. Chem. Chem. Phys. 2014, 16, 11366.

19. Xiang Sheng, and Yongjun Liu*.A QM/MM study of the catalytic mechanism of nicotinamidase. Org. Biomol. Chem. 2014, 12, 1265.

20. Xiang Sheng, and Yongjun Liu*. QM/MM Study of the Reaction Mechanism of the Carboxyl Transferase Domain of Pyruvate Carboxylase from Staphylococcus aureus. Biochemistry, 2014, 53, 4455-4466. ^[1] 

主持的國家級科研項目:

1. 國家自然科學基金面上項目(2018.1-2021.12):基於脂肪酸生物合成脂肪烴的酶催化脱羧及脱甲酰基機理研究

2.國家自然科學基金面上項目(2016.1-2017.12):幾類SAM自由基酶催化機理的理論研究

3.國家自然科學基金面上項目 (2014.1-2017.12):alpha-糖苷酶與糖苷合成酶的催化機理研究

4.國家自然科學基金面上項目 (2012.1-2015.12):維生素B1依賴酶催化機理的理論研究

5. 國防973子專題（2010.1-2014.12）典型超級xxxxxx。

6. 中國科學院百人計劃項目

另外主持完成其它省部級及橫向項目10餘項。 ^[1]