Selected publications: 

(# for first authors, and * for corresponding authors)

  1. Potential clinical drugs as covalent inhibitors of the priming proteases of the spike protein of SARS-CoV-2. Qizhang Li#, Zhiying Wang#, Qiang Zheng, Sen Liu*. Computational and Structural Biotechnology Journal, 2020, 18: 2200-2208.
  2. The rational discovery of multipurpose inhibitors of the ornithine decarboxylase. Xiaoying Chai#, Jingqiong Zhan#, Jing Pan#, Mengxi He, Bo Li, Jing Wang, Hongyan Ma, Yanlin Wang, Sen Liu*. The FASEB Journal, 2020, 34(9): 10907-12921.
  3. Potential covalent drugs targeting the main protease of the SARS-CoV-2 coronavirus. Sen Liu#*, Qiang Zheng, Zhiying Wang. Bioinformatics, 2020, 36(11): 3295-3298.
  4. Repurposing clinical drugs as AdoMetDC inhibitors using the SCAR strategy.Yan Zhang#, Qiang Zheng#, Yin Zhou, Sen Liu*. Frontiers in Pharmacology, 2020, 11: 248.
  5. Better together: Elements of successful scientific software development in a distributed collaborative community. Julia Koehler Leman#,*, Brian Weitzner#,*, Douglas Renfrew, Steven Lewis, Rocco Moretti, Andrew Watkins, Vikram Khipplel Mulligan, Sergey Lyskov, Jared Adolf-Bryfogle, Jason Labonte, Justyna Krys, RosettaCommons Consortium, Christopher Bystroff, William Schief, Dominik Gront, Ora Schueler-Furman, David Baker, Philip Bradley, Roland Dunbrack, Tanja Kortemme, Andrew Leaver-Fay, Charlie Strauss, Jens Meiler, Brian Kuhlman, Jeffrey Gray*, Richard Bonneau*. PLOS Computational Biology, 2020,16(5): e1007507. (Group author)
  6. The recovery of KaiA’s activity depends on its N-terminal domain and KaiB in the cyanobacterial circadian clock. Jinkui Li#, Yongqi Huang, Zhengding Su, Sen Liu*. Biochemical and Biophysical Research Communications, 2020, 524(1): 123-128.
  7. Electrostatic interactions in molecular recognition of intrinsically disordered proteins. Jing Yang#, Yifan Zeng, Yunfei Liu, Meng Gao, Sen Liu, Zhengding Su, Yongqi Huang*. Journal of Biomolecular Structure and Dynamics, 2020, In press
  8. Polyamines disrupt the KaiABC oscillator by inducing protein denaturation. Jinkui Li#, Lingya Zhang, Junwen Xiong, Xiyao Cheng, Yongqi Huang, Zhengding Su, Ming Yi*, Sen Liu*. Molecules, 2019, 24(18): 3351.
  9. Intrinsically Disordered Transactivation Domains Bind to TAZ1 Domain of CBP via Diverse Mechanisms. Meng Gao#, Jing Yang, Sen Liu, Zhengding Su, Yongqi Huang*. Biophysical Journal, 2019, 117(7): 1301-1310.
  10. Structure-based reconstruction of a Mycobacterium hypothetical protein into an active Δ5–3-ketosteroid isomerase. Fei Peng#, XiyaoCheng, Hongwei Wang, Shikui Song, Tian Chen, Xin Li, Yijun He, Yongqi Huang, Sen Liu, Fei Yang*, Zhengding Su*. BBA – Proteins and Proteomics, 2019, 1867(9): 821-830.
  11. Recombinant butelase-mediated cyclization of the p53-binding domain of the oncoprotein MdmX stabilized protein conformation as a promising model for structural investigation. Ni Pi#, Meng Gao, Xiyao Cheng, Huili Liu, Zhengkun Kuang, Zixin Yang, Jing Yang, Bailing Zhang, Yao Chen, Sen Liu, Yongqi Huang, Zhengding Su*. Biochemistry, 2019, 58(27): 3005-3015.
  12. The influence of intrinsic folding mechanism of an unfolded protein on the coupled folding‐binding process during target recognition. Junwen Xiong#, Meng Gao#, Jingjing Zhou, Sen Liu, Zhengding Su*, Zhirong Liu, Yongqi Huang*. Proteins: Structure, Function, Bioinformatics, 2019, 87(4): 265-275.
  13. The influence of KaiA mutations on its function in the KaiABC circadian clock system. Qiang Chen#, Sen Liu*, Liting Yang, Lingya Zhang, Jinkui Li. Data in Brief, 2018, 18: 241-247.
  14. Kallikrein-related peptidase 7 is a potential target for the treatment of pancreatic cancer. Jianping Du#, Lin Li#, Jun Zheng*, Ding Zhang, Wei Liu, Weihong Zheng, Xiaosong Li, Rucheng Yao, Fangyu Wang, Sen Liu*, Xiao Tan*. Oncotarget, 2018, 9: 12894-12906.
  15. The reversible function switching of the circadian clock protein KaiA is encoded in its structure. Qiang Chen#, Sen Liu*, Liting Yang, Lingya Zhang, Jinkui Li. Biochimica et Biophysica Acta (BBA)-General Subjects, 2017, 1861(11): 2535-2542.
  16. 3D-quantitative structure–activity relationship and docking studies of coumarin derivatives as tissue kallikrein 7 inhibitors. Xin Zheng#, Mengxi He#, Xiao Tan*, Jun Zheng, Fangyu Wang, Sen Liu*. Journal of Pharmacy and Pharmacology, 2017, 69(9): 1136-1144.
  17. Expression and Purification of Cyanobacterial Circadian Clock Protein KaiC and Determination of Its Auto-phosphatase Activity. Qiang Chen#, Lingling Yu*, Xiao Tan*, Sen Liu*. Bio-protocol, 2017, 7(04): e2140.
  18. Discovery of covalent ligands via noncovalent docking by dissecting covalent docking based on a “steric-clashes alleviating receptor (SCAR)” strategy. Yuanbao Ai#, Lingling Yu#, Xiao Tan#, Xiaoying Chai, Sen Liu*. Journal of Chemical Information and Modeling, 2016, 56(8): 1563-1575. (Cover Article)

  19. A dynamic interaction process between KaiA and KaiC is critical to the cyanobacterial circadian oscillator. Pei Dong#, Ying Fan, Jianqiang Sun, Mengting Lv, Ming Yi, Xiao Tan, Sen Liu*.  Scientific Reports, 2016, 6: 25129.
  20. Two Sensitive Fluorescent BOPIM Probes with Tunable TICT Character for Low-Level Water Detection in Organic Solvents. Ping Shen#, Min Li, Chunlin Liu, Wei Yang, Sen Liu, Changying Yang*. Journal of Fluorescence, 2016, 26(1): 363-369.

  21. Discovery of novel inhibitors of human S-adenosylmethionine decarboxylase based on in silico high-throughput screening and a non-radioactive enzymatic assay. Chenzeng Liao#, Yanlin Wang, Xiao Tan, Lidan Sun, Sen Liu*. Scientific Reports, 2015, 5: 10754.
  22. Reliable cell cycle commitment in budding yeast is ensured by signal integration. Xili Liu#, Xin Wang#, Xiaojing Yang, Sen Liu, Lingli Jiang, Yimiao Qu, Lufeng Hu, Qi Ouyang, Chao Tang*. eLife, 2015, 4: e03977.
  23. The Mechanism of KaiB-KaiC Interaction of the Cyanobacterial Circadian Oscillator. Song Liu#Sen Liu*Progress in Biochemistry and Biophysics, 2015, 42(3): 220-227.
  24. The P2/P2′ Sites Affect the Substrate Cleavage of TNF-alpha Converting Enzyme (TACE). Sen Liu#*, Song Liu, Yanlin Wang, Zhaojiang Liao. Molecular Immunology, 2014, 62(1): 122-128.
  25. Advances in the molecular mechanism of the core circadian oscillator of cyanobacteria. Weiqun Chen#, Song Liu, Sen Liu*Acta Biophysica Sinica2013, 29(11): 801-810.
  26. Identification of a Possible Specific Non-continuous Epitope in Human P2X7 Receptor. Sen Liu#*, Chaoqi Liu. Asia Life Sciences, 2013, 22(1): 41-50.
  27. Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair. Gregory T. Kapp#Sen Liu#, Derek T. Wong, Attila Reményi, Brian Yeh, Jack Taunton, Wendell A. Lim, and Tanja Kortemme*. Proc. Natl. Acad Sci USA, 2012, 109(14): 5277-5282.

    1. “From the Cover” paper
    2. Commentary: PNAS April 3, 2012 vol. 109 no. 14: 5140-5141.
  28. Importance of Improving Scoring Methods in Predicting Protein Free-energy ChangesSen Liu#*Proceedings of the IEEE-EMBS, 2012: 600-603.
  29. Nonnatural protein–protein interaction-pair design by key residues graftingProc. Natl. Acad Sci USA, 2007, 104(13) : 5330-5335.  Sen Liu#, Shiyong Liu#, Xiaolei Zhu, Huanhuan Liang, Aoneng Cao, Zhijie Chang, Luhua Lai *.
  30. Expression, purification, crystallization and preliminary crystallographic study of a potential metal-dependent hydrolase with cyclase activity from Thermoanaerobacter tengcongensisActa Crystallogr Sect F, 2005, 61(1): 90-92. Sen Liu#, Guangteng Wu, Qichen Huang*, Luhua Lai,Youqi Tang, Hideaki Unnob, Masami Kusunoki.

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