Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Ligand Binding Sites02:40

Ligand Binding Sites

12.8K
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...
12.8K
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

6.3K
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....
6.3K
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-Protein Interfaces02:04

Protein-Protein Interfaces

3.7K
3.7K
Protein Networks02:26

Protein Networks

3.9K
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,...
3.9K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Src promotes tumor cell invasion by hijacking the translation machineries.

Cell reports·2026
Same author

DeepRank-Ab: a scoring function for antibody-antigen complexes based on geometric deep learning.

Communications biology·2026
Same author

A comprehensive multicenter study assessing the impact of abelacimab, asundexian and milvexian on coagulation assays.

Blood advances·2026
Same author

Src promotes tumor cell invasion by hijacking the translation machineries.

Cell reports·2026
Same author

Assessing the effectiveness and safety of high-intensity focused ultrasound in treating venous insufficiency using a hemodynamic approach.

Phlebology·2026
Same author

Cancer cells transfer invasive properties through microRNAs contained in collagen tracks.

Cell reports·2025

相关实验视频

Updated: Jun 14, 2025

Analyzing Protein Architectures and Protein-Ligand Complexes by Integrative Structural Mass Spectrometry
07:33

Analyzing Protein Architectures and Protein-Ligand Complexes by Integrative Structural Mass Spectrometry

Published on: October 15, 2018

14.2K

@TOME 3.0:接口蛋白质结构建模和配体对接

Jean-Luc Pons1, Victor Reys1, François Grand1

  • 1A.B.C.I.S, CNRS UMR5048 - INSERM U1054 - Université de Montpellier 29, Rue de Navacelles, 34090 Montpellier Cedex, France.

Journal of molecular biology
|September 5, 2024
PubMed
概括

@TOME-3 管道通过将蛋白质结构建模与灵活的带对接集成来增强药物设计. 这允许在多个受体构造上进行快速和高效的虚拟选,提高蛋白质 - 连接体复合体预测的准确性.

关键词:
化学信息学 化学信息学进行比较的对接.药物设计 药物设计同一性建模的同样性建模.带对接对接器

更多相关视频

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

2.4K
Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
10:33

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

11.3K

相关实验视频

Last Updated: Jun 14, 2025

Analyzing Protein Architectures and Protein-Ligand Complexes by Integrative Structural Mass Spectrometry
07:33

Analyzing Protein Architectures and Protein-Ligand Complexes by Integrative Structural Mass Spectrometry

Published on: October 15, 2018

14.2K
Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

2.4K
Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
10:33

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

11.3K

科学领域:

  • 计算化学和结构生物学.
  • 药物发现和分子建模.

背景情况:

  • 准确预测蛋白质 - 配体复合体对于有效的药物设计至关重要.
  • 现有的虚拟对接方法由于蛋白质的灵活性而难以平衡速度和准确性.
  • 使用构造组合模拟蛋白质灵活性是计算密集的,并且通常与连接物选脱节.

研究的目的:

  • 为了介绍@TOME-3,一个更新的管道,集成蛋白质结构建模与灵活的带对接.
  • 为了在多个受体构造中实现高效和简单的连接体选.
  • 为了提高药物设计虚拟对接的速度和准确性.

主要方法:

  • 使用序列配置文件比较来识别用于蛋白质结构建模的PDB模板.
  • 从模板连接体中推断结合点,用于有针对性的选.
  • 采用植物进行虚拟对接,可选用来自绑定连接体的药用抑制剂.
  • 使用各种化学信息学功能的分析对接姿势.
  • 在多个受体构造上运行并行对接.

主要成果:

  • @TOME-3管道直接接口蛋白质结构建模与灵活的连接体对接.
  • 它可以在对接过程中使用结合的连接体作为药用抑制剂.
  • 该系统可在多个受体构造上实现快速高效的并行连接体对接.
  • 序列配置文件比较有效地识别合适的模板并推断绑定站点.

结论:

  • @TOME-3提供了一种独特的工具组合,用于高效和快速的虚拟连接器对接.
  • 该管道解决了对接中蛋白质灵活性的挑战,通过使多种构型的选成为可能.
  • 这种综合方法可以更快,更准确地预测用于药物设计的蛋白质连接体复合体.