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相关概念视频

Protein Organization01:24

Protein Organization

6.6K
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....
6.6K
Protein Networks02:26

Protein Networks

4.0K
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.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
4.0K
Protein and Protein Structure02:15

Protein and Protein Structure

79.8K
Proteins are one of the most abundant organic molecules in living systems and have the most diverse range of functions of all macromolecules. Proteins may be structural, regulatory, contractile, or protective. They may serve in transport, storage, or membranes; or they may be toxins or enzymes. Their structures, like their functions, vary greatly. They are all, however, amino acid polymers arranged in a linear sequence.
A protein's shape is critical to its function. For example, an enzyme...
79.8K
Protein and Protein Structures02:15

Protein and Protein Structures

10.6K
10.6K
Conservation of Protein Domains Over Different Proteins02:26

Conservation of Protein Domains Over Different Proteins

11.0K
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...
11.0K
Globular and Fibrous Proteins02:21

Globular and Fibrous Proteins

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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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GraphGPSM:使用图形神经网络的蛋白质结构的全球评分模型.

Guangxing He1, Jun Liu1, Dong Liu1

  • 1College of Information Engineering, Zhejiang University of Technology.

Briefings in bioinformatics
|June 15, 2023
PubMed
概括

我们开发了GraphGPSM,一个等价图神经网络模型,以提高蛋白质结构预测的准确性. 图形GPSM显著优于现有的方法,特别是在挑战多域和孤儿蛋白质方面,推进了蛋白质建模领域.

科学领域:

  • 计算生物学是一种计算生物学.
  • 结构生物信息学 结构生物信息学
  • 结构生物学中的机器学习

背景情况:

  • 蛋白质结构预测的准确性仍然是一个挑战,特别是对于多域和孤儿蛋白质.
  • 现有的评分模型,包括统一字段和蛋白质特异性功能,在准确指导蛋白质结构建模和排名方面存在局限性.
  • 迫切需要深度学习方法来开发更准确,更有效的蛋白质评分模型.

研究的目的:

  • 提出和评估GraphGPSM,一种基于等价图神经网络 (EGNN) 的新型全球蛋白质结构评分模型.
  • 使用深度学习指导蛋白质结构折叠和排序,以提高准确性.
  • 解决当前评分模型在预测复杂蛋白质结构方面的局限性.

主要方法:

  • 开发了一种EGNN架构 (GraphGPSM),其中包含一个信息传递机制,用于在图节点和边缘之间交换信息.
  • 集成的残留级超快形状识别,高斯辐射基函数用于拓编码,罗塞塔能量术语,二面角和间残留几何.
  • 使用多层感知子来输出蛋白质模型的全球得分.

主要成果:

  • 图GPSM得分与CASP13,CASP14和CAMEO数据集上的TM得分有很强的相关性.
  • 它的表现优于已有的评分模型,如REF2015,ModFOLD8,ProQ3D和DeepAcc.Net等.
关键词:
图表神经网络的神经网络蛋白质建模模型中的蛋白质.蛋白质结构 蛋白质结构评分模型的评分模型.

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  • 在484个测试蛋白质的建模准确度中显著改善.
  • 与AlphaFold2.2.相比,孤儿和多域蛋白质的TM平均得分更高.
  • 在CASP15.15的全球准确性估计中展示了竞争性表现.
  • 结论:

    • GraphGPSM提供了一种高度准确和高效的蛋白质结构全球评分方法.
    • 该模型显著提高了蛋白质结构建模的准确性,特别是对于具有挑战性的蛋白质类型.
    • GraphGPSM代表了基于深度学习的蛋白质结构预测和评分的实质性进展.