scholarly journals Ligand-Induced Conformational Changes in Tissue Transglutaminase: Monte Carlo Analysis of Small-Angle Scattering Data

2000 ◽  
Vol 78 (6) ◽  
pp. 3240-3251 ◽  
Author(s):  
Paolo Mariani ◽  
Flavio Carsughi ◽  
Francesco Spinozzi ◽  
Sandro Romanzetti ◽  
Gerd Meier ◽  
...  
2013 ◽  
Vol 46 (2) ◽  
pp. 365-371 ◽  
Author(s):  
Brian R. Pauw ◽  
Jan Skov Pedersen ◽  
Samuel Tardif ◽  
Masaki Takata ◽  
Bo B. Iversen

Monte Carlo (MC) methods, based on random updates and the trial-and-error principle, are well suited to retrieve form-free particle size distributions from small-angle scattering patterns of non-interacting low-concentration scatterers such as particles in solution or precipitates in metals. Improvements are presented to existing MC methods, such as a non-ambiguous convergence criterion, nonlinear scaling of contributions to match their observability in a scattering measurement, and a method for estimating the minimum visibility threshold and uncertainties on the resulting size distributions.


2010 ◽  
Vol 34 (3) ◽  
pp. 158-164 ◽  
Author(s):  
Christian Meesters ◽  
Bruno Pairet ◽  
Anja Rabenhorst ◽  
Heinz Decker ◽  
Elmar Jaenicke

Soft Matter ◽  
2019 ◽  
Vol 15 (36) ◽  
pp. 7237-7249
Author(s):  
Katsumi Haita

A particle-mesh-based two-dimensional pattern reverse Monte Carlo (RMC) analysis method (PM-2DpRMC) is proposed for analyzing two-dimensional small-angle-scattering (2D-SAS) patterns. The validities of this PM-2DpRMC method were confirmed.


2017 ◽  
Vol 73 (9) ◽  
pp. 710-728 ◽  
Author(s):  
Jill Trewhella ◽  
Anthony P. Duff ◽  
Dominique Durand ◽  
Frank Gabel ◽  
J. Mitchell Guss ◽  
...  

In 2012, preliminary guidelines were published addressing sample quality, data acquisition and reduction, presentation of scattering data and validation, and modelling for biomolecular small-angle scattering (SAS) experiments. Biomolecular SAS has since continued to grow and authors have increasingly adopted the preliminary guidelines. In parallel, integrative/hybrid determination of biomolecular structures is a rapidly growing field that is expanding the scope of structural biology. For SAS to contribute maximally to this field, it is essential to ensure open access to the information required for evaluation of the quality of SAS samples and data, as well as the validity of SAS-based structural models. To this end, the preliminary guidelines for data presentation in a publication are reviewed and updated, and the deposition of data and associated models in a public archive is recommended. These guidelines and recommendations have been prepared in consultation with the members of the International Union of Crystallography (IUCr) Small-Angle Scattering and Journals Commissions, the Worldwide Protein Data Bank (wwPDB) Small-Angle Scattering Validation Task Force and additional experts in the field.


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