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相关概念视频

Protein-protein Interfaces02:04

Protein-protein Interfaces

12.5K
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...
12.5K
Protein Organization01:24

Protein Organization

6.5K
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....
6.5K
Protein Folding01:25

Protein Folding

8.1K
Proteins are chains of amino acids linked together by peptide bonds. Upon synthesis, a protein folds into a three-dimensional conformation, critical to its biological function. Interactions between its constituent amino acids guide protein folding, and hence the protein structure is primarily dependent on its amino acid sequence.
Protein Structure Is Critical to Its Biological Function
Proteins perform a wide range of biological functions such as catalyzing chemical reactions, providing...
8.1K
Conserved Binding Sites01:49

Conserved Binding Sites

4.2K
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...
4.2K
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

79.7K
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...
79.7K

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相关实验视频

Updated: Jul 12, 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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目前的计算方法用于蛋白质-化合物复杂结构预测.

Chao Yang1, Xianjin Xu2, Changcheng Xiang3

  • 1Department of Chemistry, New York University, New York 10003, United States.

Current medicinal chemistry
|October 27, 2023
PubMed
概括
此摘要是机器生成的。

计算方法加快了对蛋白相互作用 (PPI) 的研究,这对于开发特定和低毒性基药物至关重要. 本综述涵盖了最近的蛋白质对接技术和评估策略.

关键词:
蛋白质 - 基对接基准测试套件 基准测试套件 基准测试套件深度学习是一种深度学习.停靠性能. 停靠性能. 停靠性能.评估指标 评估指标分子动力学模拟,分子动力学模拟

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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

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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

Published on: November 3, 2011

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相关实验视频

Last Updated: Jul 12, 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

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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

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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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科学领域:

  • 计算生物学是一种计算生物学.
  • 药物发现 药物发现
  • 结构生物信息学 结构生物信息学

背景情况:

  • 介导的蛋白质与蛋白质相互作用 (PPI) 在生物过程中至关重要.
  • 基于的药物为调节PPI提供高特异性和低毒性.
  • 准确预测蛋白质-相互作用对于药物开发至关重要.

研究的目的:

  • 审查最近开发的蛋白质对接的计算方法.
  • 为对接性能提供基准测试数据集和评估指标.
  • 讨论复杂预测的先进技术,如分子动力学和深度学习.

主要方法:

  • 蛋白质接方法的分类:以模板为基础的,无模板的和混合的方法.
  • 编制可用于绩效评估的可用基准测试集.
  • 讨论分子动力学模拟和深度学习用于复杂的预测.

主要成果:

  • 目前的蛋白质接策略的分类.
  • 识别关键数据集和指标,以评估对接的准确性.
  • 探索新兴的计算技术,以提高预测.

结论:

  • 计算对接方法为研究蛋白质-相互作用的实验方法提供了具有成本效益的替代方案.
  • 标准化的基准测试和评估对于评估和改进对接工具至关重要.
  • 分子动力学和深度学习的整合有望实现更准确的蛋白质-化合物复合体预测.