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Updated: Jan 17, 2026

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
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建模CH3SOH-芳香复合物,以探测蛋白质中的硫酸氨酸-芳香相互作用

Esam A Orabi1,2, Ann M English1

  • 1Center for Research in Molecular Modeling (CERMM), Quebec Network for Research on Protein Function, Engineering, and Applications (PROTEO), and Department of Chemistry and Biochemistry, Concordia University, 7141 Sherbrooke Street West, Montreal, Quebec H4B 1R6, Canada. ann.english@concordia.ca.

Physical chemistry chemical physics : PCCP
|September 25, 2025
PubMed
概括

囊硫酸 (CysOH) 与芳香残留物的相互作用是抗氧化酶和氧化还原信号的关键. 量子力学计算揭示了蛋白质如何稳定CysOH,影响其反应性和生物作用.

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