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CovalentDock Cloud: a web server for automated covalent docking
Ouyang, Xuchang1,2; Zhou, Shuo1; Ge, Zemei1; Li, Runtao1; Kwoh, Chee Keong2
刊名NUCLEIC ACIDS RESEARCH
2013-07-01
DOI10.1093/nar/gkt406
41期:W1页:W329-W332
收录类别SCI
文章类型Article
WOS标题词Science & Technology
类目[WOS]Biochemistry & Molecular Biology
研究领域[WOS]Biochemistry & Molecular Biology
关键词[WOS]PROTEIN-LIGAND DOCKING ; DISCOVERY
英文摘要

Covalent binding is an important mechanism for many drugs to gain its function. We developed a computational algorithm to model this chemical event and extended it to a web server, the CovalentDock Cloud, to make it accessible directly online without any local installation and configuration. It provides a simple yet user-friendly web interface to perform covalent docking experiments and analysis online. The web server accepts the structures of both the ligand and the receptor uploaded by the user or retrieved from online databases with valid access id. It identifies the potential covalent binding patterns, carries out the covalent docking experiments and provides visualization of the result for user analysis. This web server is free and open to all users at http://docking.sce.ntu.edu.sg/.

语种英语
WOS记录号WOS:000323603200052
Citation statistics
Cited Times:11[WOS]   [WOS Record]     [Related Records in WOS]
文献类型期刊论文
条目标识符http://ir.bjmu.edu.cn/handle/400002259/54609
Collection北京大学药学院
北京大学药学院_化学生物学系
作者单位1.Peking Univ, State Key Lab Nat & Biomimet Drugs, Sch Pharmaceut Sci, Beijing 100191, Peoples R China
2.Nanyang Technol Univ, Sch Comp Engn, BioInformat Res Ctr, Singapore 639798, Singapore
Recommended Citation
GB/T 7714
Ouyang, Xuchang,Zhou, Shuo,Ge, Zemei,et al. CovalentDock Cloud: a web server for automated covalent docking[J]. NUCLEIC ACIDS RESEARCH,2013,41(W1):W329-W332.
APA Ouyang, Xuchang,Zhou, Shuo,Ge, Zemei,Li, Runtao,&Kwoh, Chee Keong.(2013).CovalentDock Cloud: a web server for automated covalent docking.NUCLEIC ACIDS RESEARCH,41(W1),W329-W332.
MLA Ouyang, Xuchang,et al."CovalentDock Cloud: a web server for automated covalent docking".NUCLEIC ACIDS RESEARCH 41.W1(2013):W329-W332.
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