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

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

830
At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
830
Newman Projections02:06

Newman Projections

16.8K
Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as...
16.8K

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

Realistic transition paths for large biomolecular systems: A Langevin bridge approach.

The Journal of chemical physics·2026
Same author

Persistence diagrams as morphological signatures of cells: A method to measure and compare cells within a population.

PLoS computational biology·2026
Same author

Fidelity, specialization, and evolution of Paramecium PolX DNA polymerases involved in programmed double-strand break DNA repair.

Nucleic acids research·2025
Same author

PRESCOTT: a population aware, epistatic, and structural model accurately predicts missense effects.

Genome biology·2025
Same author

Discovering cryptic pocket opening and binding of a stimulant derivative in a vestibular site of the 5-HT<sub>3A</sub> receptor.

Science advances·2025
Same author

Crystal structures of monomeric BsmI restriction endonuclease reveal coordinated sequential cleavage of two DNA strands.

Communications biology·2025

相关实验视频

Updated: Jun 25, 2025

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches
05:56

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Published on: October 13, 2022

1.3K

MinActionPath2:通过动作最小化,在大型宏分子组合的不同构造之间生成路径.

Patrice Koehl1, Rafael Navaza2, Mustafa Tekpinar3

  • 1Department of Computer Science and Genome Centre, University of California, Davis, CA 95616, USA.

Nucleic acids research
|May 23, 2024
PubMed
概括

这项研究更新了MinActionPath网络平台,使研究人员能够通过计算探索分子过渡路径. 这种增强的工具通过可视化像核糖体这样的大型生物分子的结构变化来帮助药物发现.

更多相关视频

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
10:58

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

Published on: July 25, 2013

17.0K
Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
09:17

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

Published on: March 1, 2022

3.1K

相关实验视频

Last Updated: Jun 25, 2025

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches
05:56

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Published on: October 13, 2022

1.3K
Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
10:58

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

Published on: July 25, 2013

17.0K
Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
09:17

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

Published on: March 1, 2022

3.1K

科学领域:

  • 结构生物学是结构生物学.
  • 计算生物物理学的计算生物物理.
  • 药物发现 药物发现

背景情况:

  • 低温电子显微镜 (cryo-EM) 允许在功能状态下捕捉生物分子结构.
  • 了解形态转变对于药物发现至关重要,但在实验上具有挑战性.
  • 像弹性网络模型 (ENM) 和粗粒度表示 (CG) 这样的in-silico方法提供了计算方法来研究这些路径.

研究的目的:

  • 更新MinActionPath软件平台,用于生成分子构造之间的非线性过渡路径.
  • 为了研究更大的生物分子组件,如核糖体和病毒包裹.
  • 为可视化和分析分子动态提供一个用户友好的Web界面.

主要方法:

  • 使用弹性网络模型 (ENM) 和宏分子结构的粗粒度表示 (CG).
  • 使用动作最小化技术来解决用于路径生成的运动方程.
  • 开发一个基于Web的平台,用于提交,分析和可视化过渡路径.

主要成果:

  • 更新后的MinActionPath平台成功处理了大型生物分子结构.
  • 可以生成和可视化不同形态状态之间的非线性过渡路径.
  • 提供了沿着这些路径分子行为的定量分析.

结论:

  • 增强的MinActionPath网络服务器促进了与生物功能相关的分子动态的in-silico探索.
  • 这种工具为基于结构的药物发现提供了新的途径,通过阐明构造转换.
  • 该平台为大型宏分子组件提供可访问的可视化和分析.