Structure modeling from small angle X-ray scattering data with elastic network normal mode analysis.
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.
Miyashita
Osamu
O
Department of Chemistry and Biochemistry, The University of Arizona, 1041 E. Lowell Street, Tucson, AZ 85721, USA.
Gorba
Christian
C
Tama
Florence
F
D000465:Algorithms; D031541:Fluorescence Resonance Energy Transfer; D008958:Models, Molecular; D011487:Protein Conformation; D053838:Scattering, Small Angle; D014965:X-Rays