1. Ying Wang, Xiao-Lin Wu*, Dong-Qing Wei*, Jing-Fang Wang*, Yi-Xue Li, “Auto-inhibitory Mechanism for Mutation-Induced Impaired FGF Signaling”, J. Chem. Inf. Model., 52(9), 2422-9(2012).
2. Qi Chen , John K. Buolamwini , Jeremy C. Smith , Aixiu Li , Qin Xu , Xiaolin Cheng* , and Dong-Qing Wei*, “Impact of Resistance Mutations on Inhibitor Binding to HIV-1 Integrase”,J. Chem. Inf. Model., 53 (12), 3297–3307(2013).
3. Ruo-Xu Gu, Limin Angela Liu*, Dong-Qing Wei*, “Structural and Energetic Analysis on Drug Inhibition of the Influenza A M2 Proton Channel”, Trends in Pharmacological Sciences, 34, 571(2013).
4. Peng Lian, Hao-Bo Guo, Jeremy C. Smith, Dong-Qing Wei* and Hong Guo*, “Catalytic Mechanism and Origin of High Activity of Cellulase TmCel12A at High Temperature: A Quantum Mechanical/Molecular Mechanical Study”, Cellulose, 21, 1(2014).
5. Yukun Wang, Dan Hu* and Dong-Qing Wei*, “Transmembrane Permeation Mechanism of Charged Methyl Guanidine”, J. Chem. Theory Comput., 10 (4), 1717–1726(2014).
6. Yukun Wang, Tangzheng Zhao, Dong-Qing Wei*, Erik Strandberg, Anne Ulrich, Jakob Ulmschneider*, “How reliable are molecular dynamics simulations of membrane active antimicrobial peptides?”, BBA – Biomembranes, 1838(9), 2280–2288(2014).
7. Huai-Meng Fan, Ruo-Xu Gu, Yun-Long Pi, Yan-Jing Wang,Yonghong Zhang, Qin Xu, Dong-Qing Huang Wei, “The Destabilization of Alzheimer's Aβ42 Protofibrils with a Novel Drug Candidate WGX-50 by Molecular Dynamics Simulations”, J. Phys. Chem. B., 119 (34): 11196-202(2015).
8. Hui-Yuan Zhang, Qin Xu, Yu-Kun Wang, Tang-Zhen Zhao, Dan Hu, Dong-Qing Wei, “The Passive Transmembrane Permeation Mechanisms of Monovalent Ions Explored by Molecular Dynamics Simulations”. Journal of Chemical Theory and Computation 12,4959-4969(2016).
9. Cheng-Dong Li, Qin Xu, Ruo-Xu Gu, Jing Qu, Dong-Qing Wei, “The Dynamic Binding of Cholesterol to the Multiple Sites of C99: Revealed by Coarse-Grained and All-Atom Simulations”, Physical Chemistry Chemical Physics 01/2017;, DOI:10.1039/C6CP07873G
10. Meena Kumari Kotni, Mingzhu Zhao, Dong-Qing Wei, “Gene expression profiles and protein-protein interaction networks in amyotrophic lateral sclerosis patients with C9orf72 mutation”, Orphanet Journal of Rare Diseases 11/2016; 11(1)., DOI:10.1186/s13023-016-0531-y.