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相关概念视频

Types of Toxins01:36

Types of Toxins

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Humans continually engage with an environment rich in potentially harmful chemicals. These are introduced to our bodies through inhalation, ingestion, or skin contact. These chemicals exist in various forms, such as air and environmental pollutants, agricultural chemicals, organic solvents, and heavy metals.
Air pollutants, primarily gases, pose significant threats to respiratory health, leading to conditions like hypoxia, lung cancer, and in extreme cases, death.
Environmental pollutants like...
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Peptide Identification Using Tandem Mass Spectrometry01:33

Peptide Identification Using Tandem Mass Spectrometry

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Tandem mass spectrometry, also known as MS/MS or MS2, is an analytical technique that employs two mass analyzers. Essentially it is a series of mass spectrometers that helps isolate a particular biomolecule and then helps study its chemical properties.
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...
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Conservation of Protein Domains Over Different Proteins02:26

Conservation of Protein Domains Over Different Proteins

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Protein domains are small structurally independent units that are part of a single amino acid chain.  Although these domains are often structurally independent, they may rely on synergistic effects to perform their functions as part of a larger protein. Protein domains may be conserved within the same organism, as well as across different organisms.
A limited set of protein domains often duplicate and recombine during evolution. These domains can be organized in different combinations to...
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相关实验视频

Updated: Jan 18, 2026

Creating and Applying a Reference to Facilitate the Discussion and Classification of Proteins in a Diverse Group
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多种毒素:一种基于序列的堆叠组合模型,用于多种类型的蛋白质毒素分类.

Harshika Sharma1, Mayank Singh Thakur2, Avinash Barala2

  • 1Department of Computational Biology, Indraprastha Institute of Information Technology Delhi (IIIT-Delhi), Okhla Phase III, New Delhi, 110020, India; Infosys Centre for Artificial Intelligence, Indraprastha Institute of Information Technology Delhi (IIIT-Delhi), Okhla Phase III, New Delhi, 110020, India; Center of Excellence in Healthcare, Indraprastha Institute of Information Technology Delhi (IIIT-Delhi), Okhla Phase III, New Delhi, 110020, India.

International journal of biological macromolecules
|September 9, 2025
PubMed
概括
此摘要是机器生成的。

MultiTox根据它们的作用方式对毒素蛋白进行分类,使用集体堆叠框架. 这种方法提高了对神经毒素,细胞毒素,血液毒素和肠毒素的蛋白质结构,功能和生物活性的理解.

关键词:
生物学解释 生物学解释在ESM-2中嵌入的东西.整体堆叠堆叠 组合堆叠机器学习 机器学习多类毒性多种类型的毒性.蛋白质毒素分类 蛋白质毒素分类序列分析是指进行序列分析.

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A Protocol for Computer-Based Protein Structure and Function Prediction
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相关实验视频

Last Updated: Jan 18, 2026

Creating and Applying a Reference to Facilitate the Discussion and Classification of Proteins in a Diverse Group
07:49

Creating and Applying a Reference to Facilitate the Discussion and Classification of Proteins in a Diverse Group

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A Protocol for Computer-Based Protein Structure and Function Prediction

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Demonstration of the Sequence Alignment to Predict Across Species Susceptibility Tool for Rapid Assessment of Protein Conservation
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科学领域:

  • 蛋白质组学和生物信息学
  • 结构生物学 结构生物学
  • 毒理学 毒理学 毒理学

背景情况:

  • 了解毒素蛋白多样性对于破译宏分子行为和生物活性至关重要.
  • 传统的毒性预测方法对不同毒素的作用模式的洞察力有限.

研究的目的:

  • 开发一个先进的计算框架,MultiTox,根据其分子机制对毒素蛋白进行分类.
  • 使用序列数据区分神经毒素,细胞毒素,血液毒素和肠毒素.

主要方法:

  • 策划了24,756个蛋白质的数据集,提取了高维的ESM-2嵌入.
  • 采用一个双层集体堆叠框架,集成LGBM,MLP,ET,KNN,QDA和XGBoost分类器.
  • 使用SHAP进行模型解释,并使用InterProScan进行功能注释.

主要成果:

  • 实现了高整体准确性 (91.07%),F1得分 (90.73%) 和MCC (91.61%).
  • 证明了强大的类型精度,特别是对血液毒素 (98.80%) 和肠毒素 (97.02%).
  • 识别了与结构图案,疏水性,溶剂可访问性,折叠性,定位性和宿主相互作用有关的特定类别特征.

结论:

  • MultiTox提供了一种可扩展和可解释的毒素蛋白质分类方法,将序列数据与功能洞察联系起来.
  • 该框架为研究蛋白质结构功能关系的研究人员提供了宝贵的工具,并开发了有针对性的干预措施.
  • 一个公共的网络服务器可用于实时预测,促进更广泛的科学应用.