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Updated: Apr 27, 2026

Online Size-exclusion and Ion-exchange Chromatography on a SAXS Beamline
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Published on: January 5, 2017

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euroSAMPL1 pKa ブラインド予測と再現可能な研究データ管理の課題

Nicolas Tielker1, Michel Lim2, Patrick Kibies1

  • 1Department of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn-Straße 4a, 44227 Dortmund, Germany. stefan.kast@tu-dortmund.de.

Physical chemistry chemical physics : PCCP
|September 2, 2025
PubMed
まとめ

計算式化学モデルはpKa値を正確に予測することができ,コンセンサス予測は優れたパフォーマンスを示します. この研究は,よりよい研究データ管理と FAIR 基準の遵守の必要性を強調しています.

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