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Updated: Jun 25, 2025

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

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机器学习增强量子化学辅助精细化金属蛋白活性位结构的金属蛋白

Lucia Gigli1,2,3, José Malanho Silva1,2,3,4, Linda Cerofolini1,2,3

  • 1Magnetic Resonance Center (CERM), University of Florence, Sesto Fiorentino 50019, Italy.

Inorganic chemistry
|May 28, 2024
PubMed
概括

研究人员使用机器学习和量子化学提炼了金属酶活性部位. 这种方法提高了药物设计的结构精度,克服了实验方法的局限性.

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