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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
资助者Jardine OneSolution (2001) Pte Ltd ; National Natural Science Foundation of China ; Nanyang Technological University ; Peking University ; Jardine OneSolution (2001) Pte Ltd ; National Natural Science Foundation of China ; Nanyang Technological University ; Peking University
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
资助者Jardine OneSolution (2001) Pte Ltd ; National Natural Science Foundation of China ; Nanyang Technological University ; Peking University ; Jardine OneSolution (2001) Pte Ltd ; National Natural Science Foundation of China ; Nanyang Technological University ; Peking University
WOS记录号WOS:000323603200052
引用统计
被引频次:11[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.bjmu.edu.cn/handle/400002259/54609
专题北京大学药学院
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
推荐引用方式
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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