4.4 Article

Structure modeling from small angle X-ray scattering data with elastic network normal mode analysis

Journal

JOURNAL OF STRUCTURAL BIOLOGY
Volume 173, Issue 3, Pages 451-460

Publisher

ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jsb.2010.09.008

Keywords

Macromolecular complexes; Conformational change; Low-resolution structure; High-resolution Structure

Funding

  1. National Science Foundation [0744732]
  2. Direct For Biological Sciences
  3. Div Of Molecular and Cellular Bioscience [0744732] Funding Source: National Science Foundation

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Computational algorithms to construct structural models from SAXS experimental data are reviewed. SAXS data provides a wealth of information to study the structure and dynamics of biological molecules, however it does not provide atomic details of structures. Thus combining the low-resolution data with already known X-ray structure is a common approach to study conformational transitions of biological molecules. This review provides a survey of SAXS modeling approaches. In addition, we will discuss theoretical backgrounds and performance of our approach, in which elastic network normal mode analysis is used to predict reasonable conformational transitions from known X-ray structures, and find alternative conformations that are consistent with SAXS data. (C) 2010 Elsevier Inc. All rights reserved.

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