Bioinformatics Resources for Circular Dichroism Spectroscopy and Structural Biology: Operation, Enhancement, Curation, and New Developments

本提案旨在更新先前资助的生物信息学和生物资源基金项目“蛋白质环状二色性数据库，二色web服务器和ValiDichro”。CD光谱的数据共享、分析和标准资源”，促成了独特的蛋白质圆二色数据库（PCDDB）的创建、管理、运营和发展，用于光谱和元数据的免费公共数据共享，DichroWeb是（在英国和国际上）用于CD光谱分析的最广泛使用的资源，并推进了数据质量标准和验证协议。该项目的目的是运营、管理、增强和维护这些广泛用于生命科学领域的学术和商业（大型制药公司、中小企业、食品工业）部门的CD光谱综合电子存档和分析资源。它还旨在为结构生物学开发新的分析工具，并促进数据共享，包括归档数据的重用和重新利用。这将最大限度地从英国研究委员会资助的研究产生的数据中获得公共利益。该项目还将支持开发一套用于新型分析（包括跨方法分析）的新工具，以及一个“一站式”服务器，为处理、分析、显示和数据库沉积提供管道（从而简化和改进非专业社区对CD光谱的使用，并加快常规CD用户的这些过程）。这些资源的一个附加价值是，它们被用于本科生和研究生的教学，通过研讨会、视频、出版物和用户培训课程，我们将提供教育和操作工具。这些项目得到了英国和国际用户社区的大力支持，正如提案中包含的支持信所表明的那样。总之，这些生物信息学和数据共享资源为学术和工业生物化学家、结构生物学家和生物信息学家提供了CD光谱学的全面支持工具。

This proposal is for a renewal of the previously-funded Bioinformatics and Biological Resources Fund project "The Protein Circular Dichroism Data Bank, the DichroWeb Server, and ValiDichro: Data Sharing, Analysis and Standards Resources for CD Spectroscopy", which enabled the creation, curation, operation and development of the unique Protein Circular Dichroism Data Bank (PCDDB) for free public data-sharing of spectroscopic and meta-data, DichroWeb, the most widely-used resource (in the UK and internationally) for analysis of CD spectra, and the advancement of data quality standards and validation protocols. This project's aims are to operate, curate, enhance, and maintain these comprehensive electronic archiving and analysis resources for CD spectroscopy which are widely used by both the academic and commercial (bigPharma, SMEs, food industry) sectors in the life sciences. It also aims to develop new analysis tools for structural biology, and to promote data-sharing, including the reuse and re-purposing of archived data. This will maximise public benefit from data generated by UK research council-funded studies. The project would also support the development of a new suite of tools for novel types of analyses (including cross-methodological ones), and a "one-stop-shop" server providing a pipeline for processing, analysis, display, and data bank deposition (thereby simplifying and improving the use of CD spectroscopy by the non-expert community, and the speeding up of these processes for regular CD users). An added value for the resources is that they are used in teaching undergraduate and graduate students, and through workshops, videos, publications, and user training sessions, we will provide educational as well as operational tools. These projects have strong support from both the UK and international user communities, as indicated by the letters of support included with the proposal. In summary, these bioinformatics and data-sharing resources provide a comprehensive package of enabling and supportive tools in CD spectroscopy for academic and industrial biochemists, structural biologist, and bioinformaticists.