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相关概念视频

Protein Organization01:13

Protein Organization

136.9K
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Protein Folding01:22

Protein Folding

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Overview
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Protein and Protein Structure02:15

Protein and Protein Structure

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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...
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Molecular Weight of Step-Growth Polymers01:08

Molecular Weight of Step-Growth Polymers

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Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
The extent of the...
2.2K
Polymer Classification: Crystallinity01:21

Polymer Classification: Crystallinity

2.8K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
2.8K
Polymer Classification: Architecture01:14

Polymer Classification: Architecture

2.7K
Polymers are classified as linear or branched on the basis of their chain architecture. The polymer chains in linear polymers have a long chain-like structure with minimal to no branching at all. Even if a polymer features large substituent groups on the monomer, which appear as branches to the skeleton, it is not considered a branched polymer. A branched polymer contains secondary polymer chains that arise from the main polymer chain. The branching occurs when the polymer growth shifts from...
2.7K

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相关实验视频

Updated: Jun 12, 2025

Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web
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Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web

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在使用分子动力学模拟的序列定义聚合物中探索三级结构.

Kaylyn Torkelson1, Jim Pfaendtner2

  • 1University of Washington, Chemical Engineering, Box 351750, Seattle, Washington 98195-1750, United States.

Biomacromolecules
|September 18, 2024
PubMed
概括

类聚合物折叠成特定的结构,模仿蛋白质发针. 分子动力学模拟揭示了序列和溶剂如何影响折叠,稳定性和螺旋手性.

科学领域:

  • 生物仿真聚合物 生物仿真聚合物
  • 聚合物化学 聚合物化学
  • 计算化学是一种计算化学.

背景情况:

  • 类是序列定义的聚合物,具有类似的骨干.
  • 它们提供了对结构和自组装的精确控制.
  • 了解折叠驱动因素和序列结构关系至关重要.

研究的目的:

  • 研究形折叠成螺旋状发针结构的情况.
  • 分析序列特征对折叠行为的影响.
  • 在水和酸中比较结构差异和溶剂效应.

主要方法:

  • 使用了分子动力学 (MD) 模拟.
  • 模拟专注于链接的15mer类序列.
  • 在不同溶剂环境 (水,乙烯) 中进行结构分析.

主要成果:

  • 确定了依赖序列的折叠成针头结构.
  • 根据序列变化观察到不同的结构结果.
  • 在溶剂之间,螺旋形图案手的特征差异.

结论:

  • 序列和溶剂显著影响peptoid折叠和稳定性.

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  • 模拟MD提供了关于peptoid二级和三级结构形成的见解.
  • 性和疏水性在类模仿中起着关键的作用.