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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Journal ArticleDOI
Predicting protein-protein interactions based only on sequences information.
Juwen Shen,Jian Zhang,Xiaomin Luo,Weiliang Zhu,Kunqian Yu,Kaixian Chen,Yixue Li,Hualiang Jiang +7 more
TL;DR: Different types of PPI networks have been effectively mapped with the proposed method, suggesting that, even with only sequence information, this method could be applied to the exploration of networks for any newly discovered protein with unknown biological relativity.
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TarFisDock: a web server for identifying drug targets with docking approach
Honglin Li,Zhenting Gao,Ling Kang,Hailei Zhang,Kun Yang,Kunqian Yu,Xiaomin Luo,Weiliang Zhu,Kaixian Chen,Jianhua Shen,Xicheng Wang,Hualiang Jiang +11 more
TL;DR: TarFisDock may be a useful tool for target identification, mechanism study of old drugs and probes discovered from natural products, and a reverse ligand–protein docking program for seeking potential protein targets by screening an appropriate protein database.
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Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism.
Zhaoping Xiong,Zhaoping Xiong,Dingyan Wang,Xiaohong Liu,Xiaohong Liu,Feisheng Zhong,Xiaozhe Wan,Xutong Li,Zhaojun Li,Xiaomin Luo,Kaixian Chen,Kaixian Chen,Hualiang Jiang,Hualiang Jiang,Mingyue Zheng +14 more
TL;DR: A new graph neural network architecture called Attentive FP for molecular representation that uses a graph attention mechanism to learn from relevant drug discovery datasets and achieves state-of-the-art predictive performances on a variety of datasets and that what it learns is interpretable.
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Halogen bond: its role beyond drug-target binding affinity for drug discovery and development.
TL;DR: It is suggested that albeit halogenation is a valuable approach for improving ligand bioactivity, more attention should be paid in the future to the application of the halogen bond for ligand ADME/T property optimization.
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PDTD: a web-accessible protein database for drug target identification
Zhenting Gao,Zhenting Gao,Honglin Li,Honglin Li,Hailei Zhang,Xiaofeng Liu,Ling Kang,Xiaomin Luo,Weiliang Zhu,Kaixian Chen,Xicheng Wang,Hualiang Jiang,Hualiang Jiang +12 more
TL;DR: PDTD serves as a comprehensive and unique repository of drug targets and in conjunction with TarFisDock, PDTD can be used to identify binding proteins for small molecules and may be a valuable platform for the pharmaceutical researchers.