Junxi Mu#, Jiali Zhou#, Qingqiu Gong*, Qin Xu*. An Allosteric Regulation Mechanism of Arabidopsis Serine/Threonine Kinase 1 (SIK1) Through Phosphorylation. Computational and Structural Biotechnology Journal, 2022; 20: 368-379. DOI: 10.1016/j.csbj.2021.12.033 (Impact factor: 7.3)

Yu-Fang Zhang, Xiangeng Wang, Aman Chandra Kaushik, Yanyi Chu, Xiaoqi Shan, Ming-Zhu Zhao, Qin Xu* and Dong-Qing Wei*. SPVec: A Word2vec-inspired feature representation method for Drug-Target Interaction Prediction. Frontiers in Chemistry, 2020 Jan; 7: 895. DOI: 10.3389/fchem.2019.00895 (Impact factor: 5.2)

Fang Li#, Changming Chen#, Si-Ying Qu, Ming-Zhu Zhao, Xiaoling Xie, Xi Wu, Lei Li, Xuefeng Wang, Qiulan Ding, Qin Xu*, Dong-Qing Wei*, Wenman Wu*. The disulfide bond between Cys22 and Cys27 in the protease domain modulate clotting activity of coagulation factor X. Thrombosis and Haemostasis, 2019-06; 119(06): 871-881. DOI: 10.1055/s-0039-1683442 (IF 5.0, Issue Cover Image Article)

Hai-Feng Yang, Xiao-Nan Zhang, Yan Li, Yong-Hong Zhang*, Qin Xu*, and Dong-Qing Wei. Theoretical Studies of Intracellular Concentration of Micro-organisms’ Metabolites. Scientific Reports 2017-08-22, 7: 9048. DOI:10.1038/s41598-017-08793-2. (IF 4.1) 

Cheng-Dong Li, Qin Xu*, Ruo-Xu Gu, Jing Qu, Dong-Qing Wei*. The dynamic binding of cholesterol to the multiple sites of C99: as revealed by coarse-grained and all-atom simulations. Phys Chem Chem Phys. 2017-02-01; 19(5):3845-3856. DOI: 10.1039/c6cp07873g. (IF: 3.9)

Hui-Yuan Zhang, Qin Xu*, Yu-Kun Wang, Tang-Zhen Zhao, Dan Hu, Dong-Qing Wei*. Passive Transmembrane Permeation Mechanisms of Monovalent Ions Explored by Molecular Dynamics Simulations. J. Chem. Theory Comput., 2016-09-06; 12 (10): 4959–4969. DOI: 10.1021/acs.jctc.6b00695. (IF: 5.4) 

Huai-Meng Fan, Ruo-Xu Gu, Yan-Jing Wang, Yun-Long Pi, Yong-Hong Zhang, Qin Xu*, Dong-Qing Wei*. The Destabilization of Alzheimer's Aβ42 Protofibrils with a Novel Drug Candidate wgx-50 by Molecular Dynamics Simulations. J. Phys. Chem. B 2015-05-21; 119(34):11196-11202. DOI: 10.1021/acs.jpcb.5b03116 (Impact factor: 3.1)

Qin Xu, Yu-Zhuo Chu, Hao-Bo Guo, Jeremy C. Smith, Hong Guo*. Energy Triplets for Writing Epigenetic Marks: Insights from QM/MM Free-Energy Simulations of Protein Lysine Methyltransferases. Chem-Eur. J., 2009-10-30; 15(46): 12596-12599. DOI: 10.1002/chem.200902297 (IF: 5.2) 

Qin Xu, Haobo Guo, Alexander Wlodawer, Hong Guo*. The Importance of Dynamics in Substrate-Assisted Catalysis and Specificity. J. Am. Chem. Soc., 2006-04-18; 128 (18): 5994 -5995. DOI: 10.1021/ja058831y (IF: 14.4) 

Haobo Guo, Niny Rao, Qin Xu, Hong Guo*. Origin of Tight Binding of a Near-Perfect Transition-State Analogue by Cytidine Deaminase: Implications for Enzyme Catalysis. J. Am. Chem. Soc., 2005-02-05; 127 (9): 3191-3197. DOI: 10.1021/ja0439625 (IF: 14.4)