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相关概念视频

Protein Complexes with Interchangeable Parts01:57

Protein Complexes with Interchangeable Parts

2.6K
Groups of proteins may form a complex where each protein in this complex has a different role in the overall execution of the complex’s function. Often some of the proteins in the complex can be replaced by a closely related variant to give a complex that contains many of the same components yet is functionally distinct.
The SCF ubiquitin ligase is a protein complex of five individual proteins. This complex attaches ubiquitin to other target proteins to mark them for degradation. In order...
2.6K
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-Protein Interfaces02:04

Protein-Protein Interfaces

3.8K
3.8K
Ligand Binding Sites02:40

Ligand Binding Sites

12.9K
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...
12.9K
Molecular Models02:00

Molecular Models

38.5K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
38.5K
Protein Dynamics in Living Cells01:19

Protein Dynamics in Living Cells

2.1K
Different fluorescence-based techniques are used to study the protein dynamics in living cells. These techniques include FRAP, FRET, and PET.
Fluorescent recovery after photobleaching (FRAP) is a fluorescent-protein-based detection technique used to quantify protein movement rates within the cell. This method exposes a small portion of the cell to an intense laser beam. The laser beam causes permanent photobleaching of the fluorophore-tagged proteins in the exposed region. As the bleached...
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相关实验视频

Updated: Jul 15, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

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UDock2:交互式实时多体蛋白质-蛋白质对接软件

Cyprien Plateau-Holleville1, Simon Guionnière2, Benjamin Boyer2

  • 1XLIM, UMR CNRS 7252, University of Limoges, 87000 Limoges, France.

Bioinformatics (Oxford, England)
|October 4, 2023
PubMed
概括

这项研究介绍了UDock2,这是一个用于蛋白质-蛋白质对接的交互式软件. 它帮助研究人员通过用户友好的可视化和实时分析来理解蛋白质相互作用和药物发现.

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Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
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Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

239
Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
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Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
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科学领域:

  • 结构生物学 结构生物学
  • 计算生物学 计算生物学
  • 药物发现 药物发现 药物发现

背景情况:

  • 蛋白质与蛋白质之间的相互作用对于生物过程至关重要.
  • 预测蛋白质复杂结构有助于理解生物机制和药物开发.
  • 交互式工具可以补充蛋白质对接中的自动化方法.

研究的目的:

  • 为了介绍UDock2,一个交互式的多体蛋白质-蛋白质对接软件.
  • 为研究,教学和科学普及提供一个用户友好的工具.
  • 为了增强对蛋白质接口和特性的可视化和理解.

主要方法:

  • 交互式,实时的对接程序与飞行中的得分.
  • 集成传统的计算机图形,以增强可视化.
  • 用户导向的操纵工具,用于探索构造空间.

主要成果:

  • UDock2为解决蛋白界面构造空间提供了高可用性.
  • 该软件可方便对蛋白质相互作用进行直观的探索和分析.
  • 通过集成可视化,更好地了解蛋白质表面,接口和特性.

结论:

  • UDock2是一个有价值的开源工具,用于蛋白质-蛋白质对接研究.
  • 它的可用性使它适合用于教育和公共宣传目的.
  • 增强对蛋白质相互作用的理解,用于药物发现和生物研究.