Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models
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Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models. / Stovgaard, Kasper; Andreetta, Christian; Ferkinghoff-Borg, Jesper; Hamelryck, Thomas Wim.
In: B M C Bioinformatics, Vol. 11, 01.01.2010, p. 429.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models
AU - Stovgaard, Kasper
AU - Andreetta, Christian
AU - Ferkinghoff-Borg, Jesper
AU - Hamelryck, Thomas Wim
PY - 2010/1/1
Y1 - 2010/1/1
N2 - Genome sequencing projects have expanded the gap between the amount of known protein sequences and structures. The limitations of current high resolution structure determination methods make it unlikely that this gap will disappear in the near future. Small angle X-ray scattering (SAXS) is an established low resolution method for routinely determining the structure of proteins in solution. 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.
AB - Genome sequencing projects have expanded the gap between the amount of known protein sequences and structures. The limitations of current high resolution structure determination methods make it unlikely that this gap will disappear in the near future. Small angle X-ray scattering (SAXS) is an established low resolution method for routinely determining the structure of proteins in solution. 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.
KW - Amino Acid Sequence
KW - Models, Molecular
KW - Models, Statistical
KW - Protein Conformation
KW - Proteins
KW - Scattering, Small Angle
KW - Solutions
KW - X-Ray Diffraction
U2 - 10.1186/1471-2105-11-429
DO - 10.1186/1471-2105-11-429
M3 - Journal article
C2 - 20718956
VL - 11
SP - 429
JO - B M C Bioinformatics
JF - B M C Bioinformatics
SN - 1471-2105
ER -
ID: 33977225