K
Kaixian Chen
Researcher at Chinese Academy of Sciences
Publications - 403
Citations - 11476
Kaixian Chen is an academic researcher from Chinese Academy of Sciences. The author has contributed to research in topics: Virtual screening & Chemistry. The author has an hindex of 47, co-authored 380 publications receiving 9209 citations. Previous affiliations of Kaixian Chen include Shanghai University & East China University of Science and Technology.
Papers
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Molecular docking and 3D-QSAR studies on the binding mechanism of statine-based peptidomimetics with β-secretase
TL;DR: The final 3D-QSAR models and the information of the inhibitor–enzyme interaction would be useful in developing new drug leads against Alzheimer’s disease.
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Like-Charge Guanidinium Pairing between Ligand and Receptor: An Unusual Interaction for Drug Discovery and Design?
Yang Yang,Zhijian Xu,Zhijian Xu,Zhengyan Zhang,Zhengyan Zhang,Zhuo Yang,Yingtao Liu,Jinan Wang,Cai Tingting,Shujin Li,Kaixian Chen,Jiye Shi,Weiliang Zhu +12 more
TL;DR: It is suggested that the like-charge guanidinium pairing interaction could be used not only for tuning the physical and chemical properties of drug leads but also for improving ligand binding affinity.
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The radical transformation in artemisinin: A DFT study
TL;DR: The 6,7,8-trioxybicyclo[3,2,2]nonane model molecule has been used to study the reaction mechanism of the radical transformations in artemisinin this paper.
Journal Article
Conformational flexibility of beta-secretase: molecular dynamics simulation and essential dynamics analysis.
Bing Xiong,Xiaoqin Huang,Lingling Shen,Jianhua Shen,Xiaomin Luo,Xu Shen,Hualiang Jiang,Kaixian Chen +7 more
TL;DR: The essential dynamics and DynDom analyses clearly showed that the beta-secretase experienced a large conformational change upon the substrate or inhibitor binding and could be used to identify small molecular inhibitors of beta- secretase.
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Design and Synthesis of Marine Phidianidine Derivatives as Potential Immunosuppressive Agents.
TL;DR: A series of novel marine phidianidine derivatives, displaying the most promising inhibitory effects and low toxicities, were found to possess immune-regulatory activities upon cross-linking of T cell receptor (TCR) and B cell receptors (BCR) on purified T and B cells, respectively.