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Updated: Jun 29, 2025

A Protocol for Computer-Based Protein Structure and Function Prediction
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A Protocol for Computer-Based Protein Structure and Function Prediction

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蛋白质语言模型嵌入式几何图表 功率 蛋白质间接触预测

Yunda Si1, Chengfei Yan1

  • 1School of Physics, Huazhong University of Science and Technology, Wuhan, China.

eLife
|April 2, 2024
PubMed
概括

我们开发了PLMGraph-Inter,这是一种用于预测蛋白质与蛋白质接触的深度学习方法. 这种方法显著提高了准确性,并有助于蛋白质复杂结构的预测.

关键词:
计算生物学是计算生物学.几何深度学习的几何深度学习蛋白质之间的接触预测没有,没有,没有.蛋白质复杂结构预测 蛋白质复杂结构预测蛋白质语言模型的模型蛋白质蛋白质对接方式蛋白质蛋白质相互作用系统生物学 系统生物学

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Protein-protein Interfaces

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An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
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Ligand Binding Sites

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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Many proteins’ biological role depends on their interactions with their ligands, small molecules that bind to specific locations on the protein known as ligand-binding sites. Ligand-binding sites are often conserved among homologous proteins as these sites are critical for protein function.
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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.
The primary structure of a protein is its amino acid sequence....
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