The eNMR platform for structural biology.
The eNMR platform for structural biology.
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DOI：
10.1007/s10969-010-9084-9
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发表时间：
2010-03
期刊：
影响因子：
--
通讯作者：
Wassenaar, Tsjerk A
中科院分区：
文献类型：
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作者：
Bonvin, Alexandre M J J;Rosato, Antonio;Wassenaar, Tsjerk A
电子核磁共振项目是一项欧洲合作倡议，旨在为生物核磁共振用户提供一个软件平台，整合和简化分析生物核磁共振数据所需的计算方法。e-NMR平台基于网格计算基础设施。目前实施e-NMR平台的主要重点是简化结构测定方案。事实上，为了促进NMR光谱在生命科学中的使用，eNMR联盟已经开始通过易于使用的Web界面提供协议化服务，同时仍然保留足够的灵活性来处理专家用户的特定请求。与结构生物学应用相关的各种程序已经通过e-NMR门户网站提供，包括HADDOCK，XPLOR-NIH，CYANA和csRosetta。这些服务的实施，特别是将计算结果分配给全球资源数据库基础设施，需要开发具体的工具。然而，全球资源数据库基础设施对用户保持完全透明。eNMR拥有150多个注册用户，是目前欧洲生命科学领域第二大虚拟组织。
The e-NMR project is a European cooperation initiative that aims at providing the bio-NMR user community with a software platform integrating and streamlining the computational approaches necessary for the analysis of bio-NMR data. The e-NMR platform is based on a Grid computational infrastructure. A main focus of the current implementation of the e-NMR platform is on streamlining structure determination protocols. Indeed, to facilitate the use of NMR spectroscopy in the life sciences, the eNMR consortium has set out to provide protocolized services through easy-to-use web interfaces, while still retaining sufficient flexibility to handle specific requests by expert users. Various programs relevant for structural biology applications are already available through the e-NMR portal, including HADDOCK, XPLOR-NIH, CYANA and csRosetta. The implementation of these services, and in particular the distribution of calculations to the GRID infrastructure, has required the development of specific tools. However, the GRID infrastructure is maintained completely transparent to the users. With more than 150 registered users, eNMR is currently the second largest European Virtual Organization in the life sciences.