1.      Tang MP, Wang ZX,  Zhou Y, Xu WJ, Li ST, Wang LY, Wei DQ*, Qiao ZD*. A novel drug candidate for Alzheimer's disease treatment: gx-50 derived fromZanthoxylum bungeanum. J Alzheimer’s Disease, 2013, 34(1):203–213.

2.       Chen SG, Gu RX , WeiDQ*. Virtual Screening with Respect to alpha7 Nicotinic Acetylcholine Receptor for Possible Leads against Alzheimer's disease. Journal of Molecular Graphics and Modeling, 2013, 39:98-107

3.      Wang Y, Wu XL*, Wei DQ*, Wang JF*, Li YX. Autoinhibitory mechanism for the mutation-induced impaired FGF9 signaling.J Chem Info Modeling, 2012, 52(9):2422-9.

4.      Zhang T, Zhao MZ, Pang YS, Zhang W, Liu LA*, Wei DQ*. Recent progress on bioinformatics, functional genomics, and metabolomics research of cytochrome P450 and its impact on drug discovery.Curr Top Med Chem. 2012, 12(12):1346-55.

5.       Li L, Chen Q, Wei DQ*. Prediction and functional analysis of single nucleotide polymorphisms.Curr Drug Metab, 2012, 13(7):1012-23.

6.       Gu RX, Liu LA*, Wei DQ*. Free energy calculations on the two drug binding sites in the M2 proton channel.J Am Chemr Soc, 2011, 133(28):10817–10825.

7.       Arias HR, Gu RX, Feuerbach D, Guo BB, Ye Y, Wei DQ*. Novel positive allosteric modulators of the human α7 nicotinic acetylcholine receptor.Biochemistry, 2011, 50(23):5263–5278.

8.       Zhang T, Liu L*, Lewis D,  Wei DQ*. Long-range effects of a surface mutation on the enzymatic activity of cytochrome P450 1A2. J Chem Info Model, 2011, 51(6):1336–1346.

9.       Li J, Wei DQ*, Wang JF*, Li YX. A negative cooperativity mechanism of human CYP2E1 inferred from molecular dynamics simulations and free energy calculations.J Chem Info Model, 2011, 51(12):3217–3225.

10.     Chen Q, Zhang T, Wang JF*, Wei DQ*. Advances in human cytochrome p450 and personalized medicine.Curr Drug Metab, 2011, 12(5):436-44.

11.    Gu RX, Zhong YQ, Wei DQ*. Structural basis of agonist selectivity for different nAChR subtypes: insights from crystal structures, mutation experiments and molecular simulations. Curr Pharm Des, 2011, 17(17):1652-1662.

12.     Lian P, Wei DQ*, Wang JF*, Chou KC. An allosteric mechanism inferred from molecular dynamics simulations on phospholamban pentamer in lipid membranes. PLoS ONE, 2011, 6(4):e18587

13.     Chang J, Lian P, Wei DQ*, Chen XR, Gong ZZ, Zhang QM. Thermal decomposition of the solid phase of nitromethane: ab initio molecular dynamics simulations. Phys Rev Lett, 2010, 105(18):188302-188305.

14.     Wang Y, Wei DQ*, Wang JF*.Molecular dynamics studies on T1 lipase: insight into a double-flap mechanism. J Chem Inf Model, 2010, 50(5):875-8. 

15.     Lian P, Liu LA, Shi YX*, Bu YX*, Wei DQ*. Tethered-hopping model for protein-DNA binding and unbinding based on Sox2-Oct1-Hoxb1 ternary complex simulations. Biophys J, 2010, 98(7):1285-93

16.     Arias HR*,Gu RX,  Feuerbach D, Wei DQ*. Different interaction between the agonist JN403 and the competitive antagonist methyllycaconitine with the human alpha7 nicotinic acetylcholine receptor. Biochemistry, 2010, 49(19):4169-4180.

17.     Wang JF, Wei DQ*, Li YX*, Chou KC. Molecular dynamics studies on the interactions of PTP1B with inhibitors: from the first phosphate-binding site to the second one. Protein Eng Des Sel, 2009, 22(6):349-55.  

18.     Wang JF, Zhang CC, Yan JY, Chou KC, Wei DQ*. Structure of cytochrome p450s and personalized drug. Curr Med Chem, 2009,16(2):232-44.

19.     Wang JF, Wei DQ*, Chou KC*. Drug candidates from traditional chinese medicines. Curr Top Med Chem, 2008, 8(18):1656-65.

20.     Wang JF, Wei DQ*,Chou KC. Pharmacogenomics and personalized use of drugs. Curr Top Med Chem. 2008, 8(18):1573-9.