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synchrotron small-angle x-ray scattering  (Federation of European Neuroscience Societies)

 
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    Federation of European Neuroscience Societies synchrotron small-angle x-ray scattering
    Synchrotron Small Angle X Ray Scattering, supplied by Federation of European Neuroscience Societies, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/x-ray+diffraction+data/x+ray+diffraction+data/pm23313254-1-17-23
    Average 90 stars, based on 1 article reviews
    synchrotron small-angle x-ray scattering - by Bioz Stars, 2026-10
    90/100 stars

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    Article Title: Quaternary structure of human, Drosophila melanogaster and Caenorhabditis elegans MFE-2 in solution from synchrotron small-angle X-ray scattering.
    Article Snippet: journal homepage: www.FEBSLetters .org Quaternary structure of human, Drosophila melanogaster and Caenorhabditis elegans MFE-2 in solution from synchrotron small-angle X-ray scattering 0014-5793/$36.00 2013 Federation of European Biochemical Societies.

    Article Title: Plasmodium falciparum Kelch13 and its artemisinin-resistant mutants assemble as hexamers in solution: a SAXS data-driven modelling study.
    Article Snippet: Correspondence S. Bhattacharjee, 3D-FF, Special Centre for Molecular Medicine, Jawaharlal Nehru University, New Delhi 110067, India Tel: +919810125616, +911126738974 E-mails: souvik@jnu.ac.in, sbh174@gmail.com Website: https://www.jnu.ac.in/content/ souvik and F. Ashish, Council of Scientific and Industrial Research-Institute of Microbial Technology, Chandigarh 160036, India Tel: +911722880472/3 E-mail: ashgang@imtech.res.in


    Article Title: Structure and inhibition of N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus.
    Article Snippet: X-ray diffraction data were collected to 8 FEBS Letters (2016) a 2016 Federation of European Biochemical Societies 2.33 A, processed in the space group P212121, and solved by molecular replacement using the monomer of S. aureus N-acetylneuraminate lyase as the search model (PDB entry 4ahp) [15].

    Article Title: The flexibility of a homeodomain transcription factor heterodimer and its allosteric regulation by DNA binding.
    Article Snippet: doi:10.1111/febs.13801 Transcription factors are known to modify the DNA that they bind.. However, DNA can also serve as an allosteric ligand whose binding modifies the conformation of transcriptional regulators.. Here, we describe how heterodimer PBX1:PREP1, formed by proteins playing major roles in embryonic development and tumorigenesis, undergoes an allosteric transition upon DNA binding.

    X-ray Diffraction:

    Article Title: Polymorphism in disease-related apolipoprotein C-II amyloid fibrils: a structural model for rod-like fibrils.
    Article Snippet: 2805The FEBS Journal 285 (2018) 2799–2812 a 2018 Federation of European Biochemical Societies nloaded from https://febs.onlinelibrary.w iley.com /doi/10.1111/febs.14517 by B irm ingham C ity U niversity, W iley O nline L ibrary on [22/05/2024]. .. See the T erm s and C onditions (https://onlinelibrary.w iley.com /term s-and-conditions) on W iley O nline L ibrary for rules of use; O A articles are governed by the applicable C reative C om m ons L icense 2806 The FEBS Journal 285 (2018) 2799–2812 a 2018 Federation of European Biochemical Societies explored, and simulated X-ray diffraction patterns were calculated and compared to the experimental diffraction data (Fig. 9). ..



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    Workflow used for the analysis of the ML tools discussed in this article. (a) Optimization of the 65 X-ray crystal structures with either DFT or UMA, or no optimization, followed by calculations of magnetic shielding tensors either via RPBE or ShiftML3. (b) For the set of Ramos et al. , optimization of the reported PBE-D3 structures with either UMA (tasks omol or omc) or MACE-Polar-1, followed by calculations of magnetic shieldings with either PBE or ShiftML3.

    Journal: Chemical Science

    Article Title: Accessible hybrid DFT-quality NMR crystallography via gas-phase machine learning interatomic potentials

    doi: 10.1039/d6sc04941a

    Figure Lengend Snippet: Workflow used for the analysis of the ML tools discussed in this article. (a) Optimization of the 65 X-ray crystal structures with either DFT or UMA, or no optimization, followed by calculations of magnetic shielding tensors either via RPBE or ShiftML3. (b) For the set of Ramos et al. , optimization of the reported PBE-D3 structures with either UMA (tasks omol or omc) or MACE-Polar-1, followed by calculations of magnetic shieldings with either PBE or ShiftML3.

    Article Snippet: Powder X-ray diffraction (PXRD) data were collected on a Rigaku MiniFlex benchtop diffractometer using Cu Kα radiation ( λ = 1.5406 Å) and a D/teX Ultra2 detector.

    Techniques:

    Comparison between the 13 C isotropic magnetic shieldings obtained via (a) X-ray/RPBE vs. RPBE-D2/RPBE, (b) UMA/RPBE vs. RPBE-D2/RPBE, (c) X-ray/ShiftML3 vs. RPBE-D2/RPBE, (d) UMA/ShiftML3 vs. RPBE-D2/RPBE. UMA was used with the task omol and the uma-s-1p1 model.

    Journal: Chemical Science

    Article Title: Accessible hybrid DFT-quality NMR crystallography via gas-phase machine learning interatomic potentials

    doi: 10.1039/d6sc04941a

    Figure Lengend Snippet: Comparison between the 13 C isotropic magnetic shieldings obtained via (a) X-ray/RPBE vs. RPBE-D2/RPBE, (b) UMA/RPBE vs. RPBE-D2/RPBE, (c) X-ray/ShiftML3 vs. RPBE-D2/RPBE, (d) UMA/ShiftML3 vs. RPBE-D2/RPBE. UMA was used with the task omol and the uma-s-1p1 model.

    Article Snippet: Powder X-ray diffraction (PXRD) data were collected on a Rigaku MiniFlex benchtop diffractometer using Cu Kα radiation ( λ = 1.5406 Å) and a D/teX Ultra2 detector.

    Techniques: Comparison