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Updated: Sep 27, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
14:55

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

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浮動キラリティ距離幾何学計算によるNMRベースの構成割り当てに適用されたベイジアン推論

Stefan Immel1, Matthias Köck2, Michael Reggelin1

  • 1Clemens Schöpf Institut für Organische Chemie und Biochemie, Technische Universität Darmstadt, Alarich-Weiss-Straße 4, 64287 Darmstadt, Germany.

Journal of the American Chemical Society
|April 12, 2022
PubMed
まとめ

この研究では,自然製品の3D構造を正確に決定するために,浮動性シミュレーションと組み合わせたベイジアン推論法が導入されます. このアプローチは,NMRデータからの構造的割り当ての信頼性を高め,化学研究におけるエラーを軽減します.

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