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BMC Struct Biol. 2012; 12: 17.
Published online 2012 July 16. doi:  10.1186/1472-6807-12-17
PMCID: PMC3427135
Integrative structural modeling with small angle X-ray scattering profiles
Dina Schneidman-Duhovny,corresponding author1,2 Seung Joong Kim,1 and Andrej Salicorresponding author1,2
1Department 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
2UCSF MC 2552, Byers Hall at Mission Bay, Suite 503B, University of California at San Francisco, 1700 4th Street, San Francisco, CA, 94158, USA
corresponding authorCorresponding author.
Dina Schneidman-Duhovny: dina/at/salilab.org; Seung Joong Kim: sjkim/at/salilab.org; Andrej Sali: sali/at/salilab.org
Received April 17, 2012; Accepted July 16, 2012.
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.
Keywords: Small Angle X-ray Scattering (SAXS), Protein structure prediction, Macromolecular assembly, Integrative modeling
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