ArticleAdvanced materials (Deerfield Beach, Fla.)2014
Methods for SAXS-based structure determination of biomolecular complexes.
Article in Advanced materials (Deerfield Beach, Fla.), 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 25 papers.
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Who cites it
25 citing papers in PubMed.
- The many dimeric faces of Lys49 PLAProtein science : a publication of the Protein Society · 2026Article
- Using AlphaFold and Symmetrical Docking to Predict Protein-Protein Interactions for Exploring Potential Crystallization Conditions.Proteins · 2025Article
- Article
- Small-Angle X-ray Scattering (SAXS) Combined with SAXS-Driven Molecular Dynamics for Structural Analysis of Multistranded RNA Assemblies.ACS applied materials & interfaces · 2024Article
- Biophysical and Integrative Characterization of Protein Intrinsic Disorder as a Prime Target for Drug Discovery.Biomolecules · 2023Review
- Incorporation of DThe journal of physical chemistry. B · 2022Article
- An overview of structural approaches to study therapeutic RNAs.Frontiers in molecular biosciences · 2022Review
- Quantitative comparison between sub-millisecond time resolution single-molecule FRET measurements and 10-second molecular simulations of a biosensor protein.PLoS computational biology · 2020Article
- ClusPro in rounds 38 to 45 of CAPRI: Toward combining template-based methods with free docking.Proteins · 2020Article
- Small-Angle Scattering as a Structural Probe for Nucleic Acid Nanoparticles (NANPs) in a Dynamic Solution Environment.Nanomaterials (Basel, Switzerland) · 2019Review
- SAXS-guided Enhanced Unbiased Sampling for Structure Determination of Proteins and Complexes.Scientific reports · 2018Article
- Multidomain architecture of estrogen receptor reveals interfacial cross-talk between its DNA-binding and ligand-binding domains.Nature communications · 2018Article
- Dummy-atom modelling of stacked and helical nanostructures from solution scattering data.IUCrJ · 2018Article
- Healing X-ray scattering images.IUCrJ · 2017Article
- Reduction of small-angle scattering profiles to finite sets of structural invariants.Acta crystallographica. Section A, Foundations and advances · 2017Article
- New additions to the ClusPro server motivated by CAPRI.Proteins · 2017Article
- The ClusPro web server for protein-protein docking.Nature protocols · 2017Article
- Thermodynamics of Hydrophobic Amino Acids in Solution: A Combined Experimental-Computational Study.The journal of physical chemistry letters · 2017Article
- Theoretical modeling of multiprotein complexes by iSPOT: Integration of small-angle X-ray scattering, hydroxyl radical footprinting, and computational docking.Journal of structural biology · 2016Article
- Accurate optimization of amino acid form factors for computing small-angle X-ray scattering intensity of atomistic protein structures.Journal of applied crystallography · 2016Article
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Abstract
Measurements from small-angle X-ray scattering (SAXS) are highly informative to determine the structures of bimolecular complexes in solution. Here, current and recent SAXS-driven developments are described, with an emphasis on computational modeling. In particular, accurate methods to computing one theoretical scattering profile from a given structure model are discussed, with a key focus on structure factor coarse-graining and hydration contribution. Methods for reconstructing topological structures from an experimental SAXS profile are currently under active development. We report on several modeling tools designed for conformation generation that make use of either atomic-level or coarse-grained representations. Furthermore, since large, flexible biomolecules can adopt multiple well-defined conformations, a traditional single-conformation SAXS analysis is inappropriate, so we also discuss recent methods that utilize the concept of ensemble optimization, weighing in on the SAXS contributions of a heterogeneous mixture of conformations. These tools will ultimately posit the usefulness of SAXS data beyond a simple space-filling approach by providing a reliable structure characterization of biomolecular complexes under physiological conditions.
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