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3DBionotes COVID-19 版。

3DBionotes COVID-19 edition.

机构信息

Spanish National Bioinformatics Institute (INB ELIXIR-ES), Biocomputing Unit, National Centre of Biotechnology (CNB-CSIC), Instruct Image Processing Centre, Campus de Cantoblanco, 28049 Madrid, Spain.

Research Collaboratory for Structural Bioinformatics Protein Data Bank, San Diego Supercomputer Center, University of California, San Diego, La Jolla, CA, USA.

出版信息

Bioinformatics. 2021 Nov 18;37(22):4258-4260. doi: 10.1093/bioinformatics/btab397.

Abstract

SUMMARY

The web platform 3DBionotes-WS integrates multiple web services and an interactive web viewer to provide a unified environment in which biological annotations can be analyzed in their structural context. Since the COVID-19 outbreak, new structural data from many viral proteins have been provided at a very fast pace. This effort includes many cryogenic electron microscopy (cryo-EM) studies, together with more traditional ones (X-rays, NMR), using several modeling approaches and complemented with structural predictions. At the same time, a plethora of new genomics and interactomics information (including fragment screening and structure-based virtual screening efforts) have been made available from different servers. In this context, we have developed 3DBionotes-COVID-19 as an answer to: (i) the need to explore multiomics data in a unified context with a special focus on structural information and (ii) the drive to incorporate quality measurements, especially in the form of advanced validation metrics for cryo-EM.

AVAILABILITY AND IMPLEMENTATION

https://3dbionotes.cnb.csic.es/ws/covid19.

SUPPLEMENTARY INFORMATION

Supplementary data are available at Bioinformatics online.

摘要

摘要

网络平台 3DBionotes-WS 集成了多个网络服务和一个交互式网络查看器,提供了一个统一的环境,可以在结构上下文中分析生物学注释。自 COVID-19 爆发以来,许多病毒蛋白的新结构数据以非常快的速度提供。这项工作包括许多低温电子显微镜 (cryo-EM) 研究,以及更多传统的(X 射线、NMR)研究,使用了几种建模方法,并辅以结构预测。与此同时,来自不同服务器的大量新基因组学和相互组学信息(包括片段筛选和基于结构的虚拟筛选工作)已经可用。在这种情况下,我们开发了 3DBionotes-COVID-19,以满足以下需求:(i) 需要在统一的上下文中探索多组学数据,特别关注结构信息;(ii) 需要纳入质量测量,特别是以 cryo-EM 的高级验证指标的形式。

可用性和实现

https://3dbionotes.cnb.csic.es/ws/covid19。

补充信息

补充数据可在 Bioinformatics 在线获得。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c16/9502149/ce6c5c92cea6/btab397f1.jpg

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