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The purpose of this study is to develop a method for the efficient calculation of accurate SAXS curves from coarse-grained protein models. Such a method can for example be used to construct a likelihood function, which is paramount for structure determination based on statistical inference.<\/jats:p>\n          <\/jats:sec>\n          <jats:sec>\n            <jats:title>Results<\/jats:title>\n            <jats:p>We present a method for the efficient calculation of accurate SAXS curves based on the Debye formula and a set of scattering form factors for dummy atom representations of amino acids. Such a method avoids the computationally costly iteration over all atoms. We estimated the form factors using generated data from a set of high quality protein structures. No <jats:italic>ad hoc<\/jats:italic> scaling or correction factors are applied in the calculation of the curves. Two coarse-grained representations of protein structure were investigated; two scattering bodies per amino acid led to significantly better results than a single scattering body.<\/jats:p>\n          <\/jats:sec>\n          <jats:sec>\n            <jats:title>Conclusion<\/jats:title>\n            <jats:p>We show that the obtained point estimates allow the calculation of accurate SAXS curves from coarse-grained protein models. The resulting curves are on par with the current state-of-the-art program CRYSOL, which requires full atomic detail. Our method was also comparable to CRYSOL in recognizing native structures among native-like decoys. As a proof-of-concept, we combined the coarse-grained Debye calculation with a previously described probabilistic model of protein structure, TorusDBN. This resulted in a significant improvement in the decoy recognition performance. In conclusion, the presented method shows great promise for use in statistical inference of protein structures from SAXS data.<\/jats:p>\n          <\/jats:sec>","DOI":"10.1186\/1471-2105-11-429","type":"journal-article","created":{"date-parts":[[2010,8,18]],"date-time":"2010-08-18T18:18:58Z","timestamp":1282155538000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":51,"title":["Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models"],"prefix":"10.1186","volume":"11","author":[{"given":"Kasper","family":"Stovgaard","sequence":"first","affiliation":[]},{"given":"Christian","family":"Andreetta","sequence":"additional","affiliation":[]},{"given":"Jesper","family":"Ferkinghoff-Borg","sequence":"additional","affiliation":[]},{"given":"Thomas","family":"Hamelryck","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2010,8,18]]},"reference":[{"issue":"5","key":"3886_CR1","doi-asserted-by":"publisher","first-page":"209","DOI":"10.1093\/protein\/gzi026","volume":"18","author":"W Zheng","year":"2005","unstructured":"Zheng W, Doniach S: Fold recognition aided by constraints from small angle X-ray scattering data. 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