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

Protein Organization01:24

Protein Organization

9.0K
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....
9.0K
Protein Folding01:22

Protein Folding

125.8K
Overview
125.8K
Protein Folding01:25

Protein Folding

10.9K
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...
10.9K
Conserved Binding Sites01:49

Conserved Binding Sites

5.0K
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...
5.0K
Amino acids03:42

Amino acids

103.6K
Amino acids are the monomers that comprise proteins. Each amino acid has the same fundamental structure, which consists of a central carbon atom, or the alpha (α) carbon, bonded to an amino group (NH2), a carboxyl group (COOH), and to a hydrogen atom. Every amino acid also has another atom or group of atoms bonded to the central atom known as the R group. There are 20 common amino acids present in proteins, each with a different R group. Variation in the amino acid sequence is responsible for...
103.6K

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

Role of hydroxy substitution on the conformation and excited state dynamics of chalcone.

Physical chemistry chemical physics : PCCP·2026
Same author

Atomic and molecular collisions: classical and quantum dynamics, chaos and fractals, periodic orbits, quantum mechanical resonances, gas-surface scattering, atomic and molecular clusters, atoms and molecules under confinement: a kaleidoscopic view.

Physical chemistry chemical physics : PCCP·2026
Same author

Foreword to the Special Issue for Shridhar R. Gadre.

Journal of computational chemistry·2025
Same author

Quantum dynamics of C7N- and C10H- anions in collision with H2 at interstellar medium conditions.

The Journal of chemical physics·2025
Same author

Consequences of Heterogeneity of Organic Molecules in Water: Enhanced Photodimerization of Olefins.

Langmuir : the ACS journal of surfaces and colloids·2025
Same author

Artificial Neural Networks Fitting of Potential Energy Curves and Surfaces: The 1/R Conundrum.

Journal of computational chemistry·2025
Same journal

Spectroscopic Investigation of the In Vivo Light-Dependent Photodynamics of the Marine Diatom Phaeodactylum tricornutum.

Chemphyschem : a European journal of chemical physics and physical chemistry·2026
Same journal

Atomistic Insights into the Thermal Decomposition and Runaway Mechanism of Peroxypropionic Acid.

Chemphyschem : a European journal of chemical physics and physical chemistry·2026
Same journal

Hydrazine Adsorption on Hexagonal Ice (0001): First-Principles Investigations on Stability, Dynamics, and Chirality Changes.

Chemphyschem : a European journal of chemical physics and physical chemistry·2026
Same journal

Sustainable Ball Milling-Assisted Synthesis of Bread Waste-Derived Highly Porous Carbons for Adsorption-Based Applications.

Chemphyschem : a European journal of chemical physics and physical chemistry·2026
Same journal

RNALig: An ML-Driven Structure-Based Scoring Function for Estimating Binding Affinities of RNA-Ligand Complexes.

Chemphyschem : a European journal of chemical physics and physical chemistry·2026
Same journal

Photoswitchable Polar Azobenzene-Based Liquid Crystals for Electro-Optic and Optical Data Storage Applications.

Chemphyschem : a European journal of chemical physics and physical chemistry·2026
查看所有相关文章

相关实验视频

Updated: Jan 8, 2026

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
05:57

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

814

被困在内部的氨基酸C100:一个计算研究

Satnam Singh1, Surajit Kayal2, Brijesh Kumar Mishra2

  • 1Department of Physical Sciences, Sant Baba Bhag Singh University, Jalandhar, Punjab, 144030, India.

Chemphyschem : a European journal of chemical physics and physical chemistry
|December 21, 2025
PubMed
概括
此摘要是机器生成的。

C100富勒伦有效地封装了像甘氨酸,氨酸和氨酸这样的氨基酸,显示出有利的相互作用并稳定了它们的结构. 封装改变了振动模式,减少了二极点的时刻,影响了它们的电子特性.

关键词:
氨基酸是氨基酸中的一种.监禁的限制限制限制双类二类是什么?富勒 C100100 的一种.互动的能量是相互作用的能量.

更多相关视频

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
06:50

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

2.5K
Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
08:21

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on: April 13, 2022

3.0K

相关实验视频

Last Updated: Jan 8, 2026

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
05:57

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

814
Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
06:50

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

2.5K
Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
08:21

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on: April 13, 2022

3.0K

科学领域:

  • 计算化学的计算化学
  • 材料科学 材料科学 材料科学
  • 纳米技术纳米技术

背景情况:

  • 富勒,特别是C100,正在探索它们作为纳米容器的潜力.
  • 氨基酸是具有多样性特性的基本生物分子.
  • 了解纳米级的宿主-客人相互作用对于开发新材料至关重要.

研究的目的:

  • 研究使用C100富勒作为糖氨酸,氨酸和氨酸的纳米容器的可行性.
  • 分析封装氨基酸的相互作用能量和结构稳定性.
  • 检查封装对氨基酸振动模式,双极时刻和NMR化学转移的影响.

主要方法:

  • 密度函数理论 (DFT) 使用B3LYP-D3函数.
  • 第二阶的梅勒-普莱塞特扰动理论 (MP2).
  • 基于域的局部对自然轨道合集群单双和扰动三倍 (DLPNO-CCSD(T)) 高精度计算方法.

主要成果:

  • 计算的相互作用能量表明C100和氨基酸 (-47.8到-43.8 kcal/mol) 之间的宿主-客人相互作用是有利的.
  • 封装稳定了氨基酸的结合体和非结合体对象.
  • 振动分析显示运动受限 (蓝移) 但强化键 (OH-拉伸中的红移).
  • 在封装后观察到的1H NMR化学转移中,双极时刻和下场转移的显著减少.

结论:

  • C100富勒是小氨基酸的可行的纳米容器.
  • 封装显著改变了甘氨酸,氨酸和氨酸的电子和振动特性.
  • C100子有效屏蔽双极时刻,并影响分子动力学.