Pepsi-SAXS : an adaptive method for rapid and accurate computation of small-angle X-ray scattering profiles

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Grudinin, Sergei; Garkavenko, Maria; Kazennov, Andrei;
  • Publisher: International Union of Crystallography
  • Identifiers: doi: 10.1107/S2059798317005745
  • Subject: [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] | [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation | [MATH.MATH-MP]Mathematics [math]/Mathematical Physics [math-ph] | [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics | multipole expansion | Pepsi-SAXS | small-angle scattering

International audience; A new method called Pepsi-SAXS is presented that calculates small-angle X-ray scattering profiles from atomistic models. The method is based on the multipole expansion scheme and is significantly faster compared with other tested methods. In part... View more
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