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Updated: Jan 14, 2026

Ion Mobility-Mass Spectrometry Techniques for Determining the Structure and Mechanisms of Metal Ion Recognition and Redox Activity of Metal Binding Oligopeptides
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Ion Mobility-Mass Spectrometry Techniques for Determining the Structure and Mechanisms of Metal Ion Recognition and Redox Activity of Metal Binding Oligopeptides

Published on: September 7, 2019

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对金属酶反应的强相关性纠正区间分离局部混合函数的评估

Andrew M M Kai1, Tiffany T Nguyen1, Robin Grotjahn1

  • 1Department of Chemistry & Biochemistry, Santa Clara University, 500 El Camino Real, Santa Clara, California 95053, United States.

Journal of chemical theory and computation
|October 21, 2025
PubMed
概括

该研究引入范围分离的局部混合体 (RSLHs) 和强相关性校正的RSLHs (scRSLHs) 来建模金属酶活性位点,scRSLH ωLH23tdB-D4达到最佳准确性. 这项工作突出了电子结构计算功能设计的系统改进.

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