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Updated: Jun 7, 2025

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
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Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

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机器学习,概念密度功能理论和生物化学的协同作用:可解释的无代码预测模型,用于芳香氨基酸中的变异性

Andrés Halabi Diaz1,2,3, Mario Duque-Noreña1,4, Elizabeth Rincón5

  • 1Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andrés Bello, Avenida Republica 275, Santiago 8370146, Chile.

Journal of chemical information and modeling
|November 11, 2024
PubMed
概括

本研究使用机器学习和概念密度函数理论,以无代码方法预测芳香胺 (AAs) 中的突变性活性. 关键发现突出了电友性和Log QP描述符,用于准确的QSAR建模.

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