Research article
Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models
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* Corresponding author: Thomas Hamelryck thamelry@binf.ku.dk
1 The Bioinformatics Centre, Department of Biology, University of Copenhagen, Denmark
2 Department of Electrical Engineering, Technical University of Denmark, Lyngby, Denmark
BMC Bioinformatics 2010, 11:429 doi:10.1186/1471-2105-11-429
Published: 18 August 2010Additional files
Additional file 1:
Data set of selected protein structures from the Top500 data set [34] used in the form factor estimation. Each column contains PDB identifier, primary sequence length and radius of gyration calculated from the atomic structure.
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Additional file 2:
Scattering form factor centroids for the one-body model. Form factor centroids for each amino acid in the q-range [0, 0.750] Å-1.
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Additional file 3:
Scattering form factors for the two-body model. Form factor centroids for the generic backbone component and each amino acid in the q-range [0, 0.750] Å-1. An asterisk is used to mark the residues where the form factor includes both the backbone and side chain scatterers.
Format: PDF Size: 17KB Download file
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