Impact of anisotropic atomic motions in proteins on powder-averaged incoherent neutron scattering intensities
| العنوان: | Impact of anisotropic atomic motions in proteins on powder-averaged incoherent neutron scattering intensities |
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| المؤلفون: | Guillaume Chevrot, Gerald R. Kneller |
| المساهمون: | Centre de biophysique moléculaire (CBM), Université d'Orléans (UO)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS) |
| المصدر: | Journal of Chemical Physics Journal of Chemical Physics, American Institute of Physics, 2012, 137 (22), pp.225101. ⟨10.1063/1.4769782⟩ |
| بيانات النشر: | AIP Publishing, 2012. |
| سنة النشر: | 2012 |
| مصطلحات موضوعية: | Models, Molecular, Movement, Neutron diffraction, General Physics and Astronomy, MESH: Movement, MESH: Powders, Neutron scattering, 01 natural sciences, Molecular physics, 03 medical and health sciences, Nuclear magnetic resonance, 0103 physical sciences, MESH: Proteins, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Physical and Theoretical Chemistry, Anisotropy, 030304 developmental biology, 0303 health sciences, 010304 chemical physics, Series (mathematics), Scattering, Chemistry, Proteins, MESH: Neutron Diffraction, Neutron Diffraction, MESH: Muramidase, MESH: Anisotropy, Muramidase, Powders, Multipole expansion, Structure factor, MESH: Models, Molecular, Intensity (heat transfer) |
| الوصف: | International audience; This paper addresses the question to which extent anisotropic atomic motions in proteins impact angular-averaged incoherent neutron scattering intensities, which are typically recorded for powder samples. For this purpose, the relevant correlation functions are represented as multipole series in which each term corresponds to a different degree of intrinsic motional anisotropy. The approach is illustrated by a simple analytical model and by a simulation-based example for lysozyme, considering in both cases the elastic incoherent structure factor. The second example shows that the motional anisotropy of the protein atoms is considerable and contributes significantly to the scattering intensity. |
| تدمد: | 1089-7690 0021-9606 |
| الوصول الحر: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2126cf1ebd9f7ce18f2c7e79738dd82bTest https://doi.org/10.1063/1.4769782Test |
| رقم الانضمام: | edsair.doi.dedup.....2126cf1ebd9f7ce18f2c7e79738dd82b |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 10897690 00219606 |
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