ArticleJournal of applied crystallography2014
MARTINI bead form factors for the analysis of time-resolved X-ray scattering of proteins.
Article in Journal of applied crystallography, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Time-resolved x-ray solution scattering from detergent solubilized visual rhodopsin.Biophysical journal · 2026Article
- Accurate and Efficient SAXS/SANS Implementation Including Solvation Layer Effects Suitable for Molecular Simulations.Journal of chemical theory and computation · 2023Article
- Biophysical and Integrative Characterization of Protein Intrinsic Disorder as a Prime Target for Drug Discovery.Biomolecules · 2023Review
- Refinement of α-Synuclein Ensembles Against SAXS Data: Comparison of Force Fields and Methods.Frontiers in molecular biosciences · 2021Article
- The dynamics of linear polyubiquitin.Science advances · 2020Article
- Integrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data.The Journal of chemical physics · 2020Article
- Determination of Protein Structural Ensembles by Hybrid-Resolution SAXS Restrained Molecular Dynamics.Journal of chemical theory and computation · 2020Article
- Rapid interpretation of small-angle X-ray scattering data.PLoS computational biology · 2019Article
- Erratum: MARTINI bead form factors for the analysis of time-resolved X-ray scattering of proteins. Erratum.Journal of applied crystallography · 2018Article
- Progress in small-angle scattering from biological solutions at high-brilliance synchrotrons.IUCrJ · 2017Review
- Accurate optimization of amino acid form factors for computing small-angle X-ray scattering intensity of atomistic protein structures.Journal of applied crystallography · 2016Article
- Deciphering solution scattering data with experimentally guided molecular dynamics simulations.Journal of chemical theory and computation · 2015Article
Corrections and comments
- Erratum issued
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Time-resolved small- and wide-angle X-ray scattering (SAXS and WAXS) methods probe the structural dynamics of proteins in solution. Although technologically advanced, these methods are in many cases limited by data interpretation. The calculation of X-ray scattering profiles is computationally demanding and poses a bottleneck for all SAXS/WAXS-assisted structural refinement and, in particular, for the analysis of time-resolved data. A way of speeding up these calculations is to represent biomolecules as collections of coarse-grained scatterers. Here, such coarse-graining schemes are presented and discussed and their accuracies examined. It is demonstrated that scattering factors coincident with the popular MARTINI coarse-graining scheme produce reliable difference scattering in the range 0 <
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