Crystal structure refinement and the magnetic and electro-optical properties of Er3+–Mn2+-substituted Y-type barium hexaferrites
Sign Up to like & getrecommendations! Published in 2021 at "Ceramics International"
DOI: 10.1016/j.ceramint.2021.03.169
Abstract: Abstract The influence of Er3+–Mn2+ substitution on the properties of Y-type hexaferrites (chemical composition: Ba2–xErxZn0.6Co0.6Cu0.8Fe12−yMnyO22 (x = 0.0, 0.3, and 0.5 and y = 0.0, 0.4, and 0.6)), which were synthesized by the sol-gel autocombustion… read more here.
Keywords: refinement; er3 mn2; structure refinement; crystal structure ... See more keywords
Crystal structure refinement of co-doped Ba0.88Ca0.12Ti0.975Sn0.025O3 ceramic
Sign Up to like & getrecommendations! Published in 2017 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2017.04.063
Abstract: Abstract Ba/Ca-doped barium titanate has been prepared by solid state reaction to produce Ba 0.88 Ca 0.12 Ti 0.975 Sn 0.025 O 3 (BCST) ceramics. Five samples were irradiated using neutron fluence of 8.1 × 10 6… read more here.
Keywords: refinement doped; crystal structure; doped ba0; structure ... See more keywords
Ligand-Binding Site Structure Refinement Using Molecular Dynamics with Restraints Derived from Predicted Binding Site Templates.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00751
Abstract: Accurate modeling of ligand-binding site structures plays a critical role in structure-based virtual screening. However, the structures of ligand-binding site in most predicted protein models are generally of low quality and in need of refinements.… read more here.
Keywords: binding site; structure refinement; site; ligand binding ... See more keywords
Rietveld structure refinement to optimize the correlation between cation disordering and magnetic features of CoFe2O4 nanoparticles
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DOI: 10.1039/c7nj04934j
Abstract: The structural properties of cobalt ferrite nanoparticles have significant effects on their magnetic behavior. In the current study, we thoroughly scrutinized and optimized the structural characteristics of CoFe2O4 nanoparticles and the correlation with their magnetic… read more here.
Keywords: cofe2o4 nanoparticles; magnetic features; structure refinement; structure ... See more keywords
refineD: improved protein structure refinement using machine learning based restrained relaxation
Sign Up to like & getrecommendations! Published in 2019 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btz101
Abstract: Motivation Protein structure refinement aims to bring moderately accurate template-based protein models closer to the native state through conformational sampling. However, guiding the sampling towards the native state by effectively using restraints remains a major… read more here.
Keywords: protein; relaxation; refinement; structure refinement ... See more keywords