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A Protocol for Computer-Based Protein Structure and Function Prediction
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hkl-based calculation of total scattering patterns from discrete and low-dimensional structure models using TOPAS

Karsten Mesecke1

  • 1Leibniz Institute for Materials Engineering - IWT, Paul-Feller-Str. 1, 28199Bremen, Germany.

Journal of Applied Crystallography
|February 7, 2025
PubMed

Keywords:
Rietveld methodmodellingnanomaterialspair distribution functionsimulations

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