Integrative structural modeling with small angle X-ray scattering profiles

Q3 Biochemistry, Genetics and Molecular Biology
Dina Schneidman-Duhovny, Seung Joong Kim, Andrej Sali
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引用次数: 90

Abstract

Recent technological advances enabled high-throughput collection of Small Angle X-ray Scattering (SAXS) profiles of biological macromolecules. Thus, computational methods for integrating SAXS profiles into structural modeling are needed more than ever. Here, we review specifically the use of SAXS profiles for the structural modeling of proteins, nucleic acids, and their complexes. First, the approaches for computing theoretical SAXS profiles from structures are presented. Second, computational methods for predicting protein structures, dynamics of proteins in solution, and assembly structures are covered. Third, we discuss the use of SAXS profiles in integrative structure modeling approaches that depend simultaneously on several data types.

Abstract Image

基于小角度x射线散射剖面的整体结构建模
最近的技术进步使生物大分子的小角x射线散射(SAXS)谱的高通量收集成为可能。因此,将SAXS剖面整合到结构建模中的计算方法比以往任何时候都更有必要。在这里,我们特别回顾了SAXS谱在蛋白质、核酸及其复合物的结构建模中的应用。首先,介绍了从结构角度计算理论SAXS剖面的方法。其次,计算方法预测蛋白质的结构,动力学的蛋白质在溶液中,和组装结构。第三,我们讨论了SAXS概要文件在同时依赖于几种数据类型的集成结构建模方法中的使用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
3.60
自引率
0.00%
发文量
0
审稿时长
>12 weeks
期刊介绍: BMC Structural Biology is an open access, peer-reviewed journal that considers articles on investigations into the structure of biological macromolecules, including solving structures, structural and functional analyses, and computational modeling.
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