相关实验视频

Updated: Jun 7, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

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ProAffinity-GNN:一种基于结构的蛋白质蛋白质结合亲和力预测的新方法,通过精选的数据集和图形神经网络进行预测

Zhiyuan Zhou1, Yueming Yin2, Hao Han1

  • 1School of Biological Sciences, Nanyang Technological University, 637551, Singapore.

Journal of chemical information and modeling
|November 19, 2024
PubMed
概括

准确预测蛋白质与蛋白质的结合亲和力对于药物发现至关重要. 这项研究介绍了ProAffinity-GNN,这是一种深度学习模型,可以通过蛋白质语言模型和图形神经网络 (GNN) 提高预测准确性.

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Protein-protein Interfaces02:04

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Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
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Conserved Binding Sites

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 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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Determining protein-drug binding can be achieved through indirect and direct methods, each providing valuable insights into the interaction between proteins and drugs.
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