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相关概念视频

Conserved Binding Sites01:49

Conserved Binding Sites

5.0K
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.
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally...
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Ligand Binding and Linkage00:49

Ligand Binding and Linkage

5.4K
Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked.  In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
5.4K
Protein-protein Interfaces02:04

Protein-protein Interfaces

14.4K
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...
14.4K
Protein-Protein Interfaces02:04

Protein-Protein Interfaces

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Allosteric Proteins-ATCase01:19

Allosteric Proteins-ATCase

6.4K
Binding sites linkages can regulate a protein's function.  For example, enzyme activity is often regulated through a feedback mechanism where the end product of the biochemical process serves as an inhibitor.
Aspartate transcarbamoylase (ATCase) is a cytosolic enzyme that catalyzes the condensation of L-aspartate and carbamoyl phosphate to  N-carbamoyl-L-aspartate. This reaction is the first step in pyrimidine biosynthesis. UTP and CTP, the end products of the pyrimidine synthesis...
6.4K
Ligand Binding Sites02:40

Ligand Binding Sites

14.8K
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.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
14.8K

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相关实验视频

Updated: Jan 6, 2026

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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M3Site:用于蛋白质活性位点识别和分类的多类多式学习.

Song Ouyang1,2, Yong Luo2, Huiyu Cai3,4,5

  • 1Renmin Hospital of Wuhan University, Zhang Road and Jiefang Road, Wuhan, Hubei 430060, China.

Briefings in bioinformatics
|November 12, 2025
PubMed
概括

M3Site是一个新的多式模式框架,用于蛋白质活性位点预测. 它整合了序列,结构和功能数据,以提高药物设计和合成生物学的准确性.

关键词:
活动地点识别活动地点识别多类分类是多类分类的分类.多模式学习是多模式学习.蛋白质蛋白质是蛋白质蛋白质的组成部分.

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科学领域:

  • 计算生物学 计算生物学
  • 结构生物信息学 结构生物信息学
  • 药物发现 药物发现 药物发现

背景情况:

  • 精确的蛋白质活性部位识别对于了解蛋白质功能,使药物设计和推进合成生物学至关重要.
  • 现有的方法经常使用二进制分类和单一数据类型,限制了它们的预测能力和范围.
  • 需要先进的计算工具,可以利用各种数据模式进行更全面的活跃站点分析.

研究的目的:

  • 开发M3Site,一个新的多式模式框架,用于残留水平,多类蛋白质活性位点预测.
  • 整合蛋白质序列嵌入,结构图表表示和功能文本注释,以提高预测准确度.
  • 为结构生物学和药物发现研究人员提供可访问和实用的工具.

主要方法:

  • 开发了M3Site,这是一个集序,结构和功能注释的多模式框架.
  • 利用预训练的蛋白质语言模型,等价图神经网络和生物医学语言模型来提取特征.
  • 实现了用于跨模式融合的功能告知交叉注意模块和自适应加权融合机制.

主要成果:

  • 与现有的最先进的现场预测方法相比,M3Site在活动现场预测方面表现显著优越.
  • 该框架成功地整合了各种数据模式,提高了预测的准确性和细节性.
  • 开发了一个交互式应用程序,促进预测和可视化的实际使用.

结论:

  • 通过有效利用多模式数据,M3Site在蛋白质活性位点预测方面取得了重大进展.
  • 该框架能够进行多类,残留水平预测,为生物和医学研究提供了增强的实用性.
  • 数据集,代码和应用程序的公开可用性促进了该领域的进一步研究和开发.