Conformational dependence of chemical shifts in the proline rich region of TAU protein

2024/01/01 by Johannes Stöckelmaier, Chris Oostenbrink · 1 voice
Materials Science · Biochemistry, Genetics and Molecular Biology · #Enzyme Structure and Function #Protein Structure and Dynamics #Photosynthetic Processes and Mechanisms

paper · pdf · doi:10.1039/d4cp02484b

openalex publication_date 2024/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/05/21

Abstract

Chemical shifts of a stretched and a globular conformer of one TAU-protein fragment are calculated. The conformational sensitivity of each chemical shift is evaluated.

Citations

• Simultaneous determination of protein structure and dynamics
• Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features
• Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
• Density-functional thermochemistry. III. The role of exact exchange
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• Array programming with NumPy
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Discussions

• Today we celebrate the first first-author paper of @johstoe ! He asks the question how sensitive predicted chemical shifts of an IDP are to their conformation. Great work, congratulations! 🧪 doi.org [bsky, 5 points, 1 comments]

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