劉永軍

1988-2004 曲阜師大工作，先後晉陞為講師(1992)、副教授(1995)、教授(1998)

2004.10-至今 山東大學化學與化工學院教授

結構化學（本科生），計算量子化學（碩士、博士研究生）等

1.QM/MM方法及酶催化反應機理研究

2.生物大分子體系的分子識別作用研究

3.材料體系的理論計算與分子模擬

近期發表的代表性論文:

11)QM/MM Study on the Reaction Mechanism of O -Alkylguanine DNA Alkyltransferase

Qianqian Hou, Likai Du, Jun Gao, Yongjun Liu,* and Chengbu Liu

J. Phys. Chem. B 2010, 114, 15296–15300

10)3D-QSAR Studies on C24-Monoalkylated Vitamin D3 26,23-Lactones and their C2a-Modified Derivatives with Inhibitory Activity to Vitamin D Receptor

Jinhu Wang,Ke Tang,Qianqian Hou,Yongjun Liu,* and Chengbu Liu

Molecular Informatics, 2010,29,621-632

9)Theoretical Investigations towards the Staudinger Reaction Catalyzed by N-Heterocyclic Carbene: Mechanism and Stereoselectivity

Ke Tang,Jinhu Wang,Xueli Cheng,Qianqian Hou and Yongjun Liu*

Eur. J. Org. Chem. 2010, 6249–6255

8)Docking and molecular dynamics studies toward the binding of new natural phenolic marine inhibitors and aldose reductase

Zhiguo Wang,Baoping Ling, Rui Zhang,Yourui Suo and Yongjun Liu*

Journal of Molecular Graphics and Modelling 28 (2009) 162–169

7) Theoretical studies on the interaction of modified pyrimidines and

purines with purine riboswitch

Baoping Ling, Zhiguo Wang, Rui Zhang, Xianghua Meng, Yongjun Liu*

Journal of Molecular Graphics and Modelling 28 (2009) 37–45

6) Docking and molecular dynamics study on the inhibitory activity of coumarin on aldose reductase

Zhiguo Wang, Baoping Ling, Rui Zhang, Yongjun Liu*

J. Phys. Chem. B, 2008, 112, 10033-10040

5) Addition Reaction of Nitrones on the Reconstructed Si(100)-2x1 Surface

Liu, Y. J.*; Wang, Z. G.

J. Phys. Chem. C 2007, 111，4673

4) Theoretical study on Adsorption of Na+(H2O)n(n=1-6) on clean Si(111) surface

Liu, Y. J.*; Wang, Z.G.; Suo, Y. R.

J. Phys. Chem. C 2007, 111, 3427

3) Theoretical Study on Adsorption of Hydrated Au+ Cations on Clean Si(111) Surface

Liu, Y. J.*; Liu, Y.; Wang, H. L.; Suo, Y. R.

Surface Science, 2007, 601, 1265

2) Theoretical Study on the Mechanism for the Addition Reaction of SiH3 with Propylene and Acetic Acid

Liu, Y. J.*; Wang, Z.G.; Suo, Y. R.

J. Phys. Chem. A 2006, 110, 12439-12442

1) Theoretical Study of Interaction between Atoms of Au, Ag, Cu and clean Si(111) surface

Liu, Y. J.*; Li, M. H.; Suo, Y. R.

Surface Science, 2006, 600, 5117-5122

8. 國防973項目子專題(負責人)(2010-2013)

7.山東省自然科學基金(負責人)(2010-2012):醛糖還原酶催化機理的QM/MM方法研究

6.山東大學交叉學科培育項目(負責人)(2010-2012):油品減阻機理及抗剪切型減阻劑設計

5.中國石油勝利油田分公司(負責人)(2010-2011):固液界面行為的分子模擬研究

4.中國石油天然氣總公司項目(負責人)(2008-2010):締合型減阻劑的分子設計

3. 中國科學院項目(負責人)(2007-2012)

2. 教育部歸國留學人員啟動基金 (負責人)(2006-2008)

1. 山東大學引進人才科研啟動基金（負責人）(2004－2009)