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重温蛋白质-蛋白质对接:一个系统的评估框架

Linlong Jiang1,2, Ke Zhang2,3, Kai Zhu1,2

  • 1College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China.

Journal of chemical information and modeling
|September 18, 2025
PubMed
概括

一个新的框架对蛋白质-蛋白质对接方法进行了基准测试. AlphaFold3在预测复杂结构方面表现出色,优于传统工具,但深度学习模型在分布外概括方面扎.

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Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
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Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
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