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Integrative structural modeling with small angle X-ray scattering profiles

Dina Schneidman-Duhovny12*, Seung Joong Kim1 and Andrej Sali12*

Author Affiliations

1 Department of Bioengineering and Therapeutic Sciences, Department of Pharmaceutical Chemistry, and California Institute for Quantitative Biosciences (QB3), University of California at San Francisco, San Francisco, USA

2 UCSF MC 2552, Byers Hall at Mission Bay, Suite 503B, University of California at San Francisco, 1700 4th Street, San Francisco, CA, 94158, USA

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BMC Structural Biology 2012, 12:17  doi:10.1186/1472-6807-12-17

Published: 16 July 2012


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.

Small Angle X-ray Scattering (SAXS); Protein structure prediction; Macromolecular assembly; Integrative modeling