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学科主题: 药学
题名:
CovalentDock Cloud: a web server for automated covalent docking
作者: Ouyang, Xuchang1,2; Zhou, Shuo1; Ge, Zemei1; Li, Runtao1; Kwoh, Chee Keong2
刊名: NUCLEIC ACIDS RESEARCH
发表日期: 2013-07-01
DOI: 10.1093/nar/gkt406
卷: 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
所属项目编号: 4060 ; 21172011
项目资助者: Jardine OneSolution (2001) Pte Ltd ; National Natural Science Foundation of China ; Nanyang Technological University ; Peking University
WOS记录号: WOS:000323603200052
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.bjmu.edu.cn/handle/400002259/54609
Appears in Collections:北京大学药学院_期刊论文

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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:
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.
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