CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
- D. Svergun, C. Barberato, M. Koch
- Chemistry
- 1 December 1995
A program for evaluating the solution scattering from macromolecules with known atomic structure is presented. The program uses multipole expansion for fast calculation of the spherically averaged…
Determination of the regularization parameter in indirect-transform methods using perceptual criteria
- D. Svergun
- Mathematics
- 1 August 1992
A method is proposed for the determination of the optimum value of the regularization parameter (Lagrange multiplier) when applying indirect transform techniques in small-angle scattering data…
Restoring low resolution structure of biological macromolecules from solution scattering using simulated annealing.
- D. Svergun
- ChemistryBiophysical Journal
- 1 June 1999
PRIMUS: a Windows PC-based system for small-angle scattering data analysis
- P. Konarev, V. Volkov, Anna Sokolova, M. Koch, D. Svergun
- Computer Science
- 1 October 2003
A program suite for one-dimensional small-angle scattering data processing running on IBM-compatible PCs under Windows 9x/NT/2000/XP is presented and PRIMUS enables model-independent singular value decomposition or linear fitting if the scattering from the components is known.
DAMMIF, a program for rapid ab-initio shape determination in small-angle scattering
- D. Franke, D. Svergun
- ChemistryJournal of Applied Crystallography
- 24 January 2009
DAMMIF, an enhanced and significantly faster implementation of the ab-initio shape-determination program DAMMIN for small-angle scattering data, is presented.
Determination of domain structure of proteins from X-ray solution scattering.
- D. Svergun, M. Petoukhov, M. Koch
- ChemistryBiophysical Journal
- 1 June 2001
New developments in the ATSAS program package for small-angle scattering data analysis
- M. Petoukhov, D. Franke, D. Svergun
- GeologyJournal of Applied Crystallography
- 15 March 2012
The paper presents new developments and amendments to the ATSAS package (version 2.4) for processing and analysis of isotropic small-angle scattering data.
Structural characterization of flexible proteins using small-angle X-ray scattering.
- P. Bernadó, E. Mylonas, M. Petoukhov, M. Blackledge, D. Svergun
- ChemistryJournal of the American Chemical Society
- 6 April 2007
A new approach, ensemble optimization method (EOM), is proposed to quantitatively characterize flexible proteins in solution using small-angle X-ray scattering (SAXS), and is able to distinguish between rigid and flexible proteins and to directly assess the interdomain contacts.
Uniqueness of ab initio shape determination in small-angle scattering
- V. Volkov, D. Svergun
- Geology
- 1 June 2003
Scattering patterns from geometrical bodies with different shapes and anisometry (solid and hollow spheres, cylinders, prisms) are computed and the shapes are reconstructed ab initio using envelope…
Global rigid body modeling of macromolecular complexes against small-angle scattering data.
- M. Petoukhov, D. Svergun
- Computer ScienceBiophysical Journal
- 1 August 2005
New methods to automatically build models of macromolecular complexes from high-resolution structures or homology models of their subunits or domains against x-ray or neutron small-angle scattering data are presented and allow one to construct interconnected models without steric clashes.
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