DichroPipeline: A suite of online and downloadable tools and resources for protein circular dichroism spectroscopic data analyses, interpretations, and their interoperability with other bioinformatics tools and resources.
DichroPipeline: A suite of online and downloadable tools and resources for protein circular dichroism spectroscopic data analyses, interpretations, and their interoperability with other bioinformatics tools and resources.
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DOI：
10.1002/pro.4817
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发表时间：
2023-12
期刊：
影响因子：
--
通讯作者：
中科院分区：
文献类型：
--
作者：
圆二色性（CD）光谱是一种广泛使用的方法，用于表征溶液、膜、薄膜和大分子复合物中的单个蛋白质结构，以及探测大分子相互作用、与结合底物相关的构象变化和不同功能相关环境中的构象变化。本文介绍了一系列相关的计算和显示工具，已经开发了多年，以帮助这些特征和功能的解释。本文所述的新DichroPipeline链接了一系列格式兼容的数据处理、分析和显示工具，以使用户能够方便地产生光谱，然后可以在蛋白质圆二色性数据库（Protein Circular Dichroism Data Bank）（https：//pcddb.cryst.bbk.ac.uk/）资源中获得光谱，其中每个条目的CD光谱和相关元数据链接到其他结构和功能数据库，包括蛋白质数据库（PDB）和UniProt序列数据库等。因此，这些工具和资源为可溶性、膜和内在无序蛋白质的广泛可追溯结构表征提供了基础。
Circular Dichroism (CD) spectroscopy is a widely‐used method for characterizing individual protein structures in solutions, membranes, films and macromolecular complexes, as well as for probing macromolecular interactions, conformational changes associated with binding substrates, and in different functionally‐related environments. This paper describes a series of related computational and display tools that have been developed over many years to aid in those characterizations and functional interpretations. The new DichroPipeline described herein links a series of format‐compatible data processing, analysis, and display tools to enable users to facilely produce the spectra, which can then be made available in the Protein Circular Dichroism Data Bank (https://pcddb.cryst.bbk.ac.uk/) resource, in which the CD spectral and associated metadata for each entry are linked to other structural and functional data bases including the Protein Data Bank (PDB), and the UniProt sequence data base, amongst others. These tools and resources thus provide the basis for a wide range of traceable structural characterizations of soluble, membrane and intrinsically‐disordered proteins.
影响因子：
14.9
作者：
Woollett B;Whitmore L;Janes RW;Wallace BA
通讯作者：
Wallace BA