Tools & Data Resources in Support of Structural Genomics

这是生物学的时代，此时此刻，结构生物学在世界范围内正在进行的各种结构基因组学项目中得到了体现。随着蛋白质结构处于中心阶段，人们需要进一步的结构表征，需要更明智地决定要确定哪些新结构，以及需要新的工具将结构与功能联系起来。这个小组通过PI，已经被委托查询和分发保存在蛋白质数据库(PDB)中的所有结构数据，提出了一种新的社区服务，以实现结构基因组学的科学。该服务将提供新的算法、相关的软件工具和数据(统称为资源)，以促进高吞吐量结构确定过程和半自动过程中对大量新结构数据的解释。具体地说，该资源将：(1)通过指导新折叠和/或生物功能的目标选择，促进结构基因组学；(2)为新确定的未知功能的结构提供功能注释；(3)提供比较(同源)模型的综合数据库。该提案汇集了加州大学圣地亚哥分校(UCSD)、伯纳姆研究所(TBI)和凯克研究所(KGI)的研究人员，他们将提供一个公共的网络可访问的计算资源，以及相关的软件和数据，供所有结构基因组学社区使用。该资源将设在圣地亚哥超级计算机中心(SDSC)，该中心有向生物界提供高质量服务的记录。拟议的公共资源将补充由各个结构基因组学中心产生的私人软件和数据，因为它们进行竞争性的高通量结构确定。

This is the era of biology, and at this moment in time, structural biology as manifest in the various structural genomics project under way worldwide. With protein structures at center stage comes the need for further structure characterization, more informed decisions about which new structures to determine, and the need for new tools to associate structure with function. This group, who through the PI, are already entrusted with the query and distribution of all structure data as deposited with the Protein Data Bank (PDB), propose a new community service to enable the science of structure genomics. The service will provide and new algorithms, associated software tools, and data (collectively referred to as the resource) to facilitate the process of high throughput structure determination and the interpretation of that large body of new structure data in a semi-automated process. Specifically the resource will: (i) facilitate structure genomics by guiding target selection towards new folds and/or biological function; (ii) provide functional annotation to newly determine structures of unknown function; and (iii) provide a comprehensive database of comparative (homology) models. The proposal brings together researchers from the University of California San Diego (UCSD), The Burnham Institute (TBI) and The Keck Graduate Institute (KGI) who will provide a public Web-accessible computing resource with associated software and data for use by all of the structural genomics community. The resource will be located at the San Diego Supercomputer Center (SDSC) which has a record of delivery high quality services to the biology community. The proposed public resource will complement the private software and data resulting from the individual structural genomics centers as they undertake competitive high throughput structure determination.