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

Molecular Models02:00

Molecular Models

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.
Molecular Comparison of Gases, Liquids, and Solids02:26

Molecular Comparison of Gases, Liquids, and Solids

Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no regular arrangement (no fixed shape); in a gas, they are far apart with no regular arrangement (no fixed shape). Particles in a solid vibrate about fixed positions (cannot flow) and do not generally move in relation to one another; in a liquid, they move past each other (can flow) but remain in essentially constant contact; in a gas, they move...
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
Protein Dynamics in Living Cells01:19

Protein Dynamics in Living Cells

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...
Molecular Kinetic Energy01:21

Molecular Kinetic Energy

The word "gas" comes from the Flemish word meaning "chaos," first used to describe vapors by the chemist J. B. van Helmont. Consider a container filled with gas, with a continuous and random motion of molecules. During collisions, the velocity component parallel to the wall is unchanged, and the component perpendicular to the wall reverses direction but does not change in magnitude. If the molecule’s velocity changes in the x-direction, then its momentum is changed. During the short time of the...
Distribution of Molecular Speeds01:27

Distribution of Molecular Speeds

The motion of molecules in a gas is random in magnitude and direction for individual molecules, but a gas of many molecules has a predictable distribution of molecular speeds. This predictable distribution of molecular speeds is known as the Maxwell-Boltzmann distribution. The distribution of molecular speeds in liquids is comparable to that of gases but not identical and can help to understand the phenomenon of the boiling and vapor pressure of a liquid. Consider that a molecule requires a...

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

Molecular Dynamics Study of the Binding of Cationic, Anionic, and Neutral Luminescent Conjugated Ligands to the Alzheimer Folds of Aβ(1-42) and Tau Fibrils.

Chembiochem : a European journal of chemical biology·2026
Same author

Exploring Content-Driven Axis Compression for Visualization of Heterogeneous Data.

IEEE transactions on visualization and computer graphics·2026
Same author

Explorative Analysis of Dynamic Force Networks in 2D Photoelastic Disks Ensembles.

IEEE transactions on visualization and computer graphics·2026
Same author

VOICE: Visual Oracle for Interaction, Conversation, and Explanation.

IEEE transactions on visualization and computer graphics·2025
Same author

Continuous Scatterplot and Image Moments for Time-Varying Bivariate Field Analysis of Electronic Structure Evolution.

IEEE transactions on visualization and computer graphics·2025
Same author

Multi-Field Visualization: Trait Design and Trait-Induced Merge Trees.

IEEE transactions on visualization and computer graphics·2025

相关实验视频

Updated: Jun 16, 2026

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis
11:29

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

Published on: December 18, 2014

11.9K

VIAMD:一个用于分子动力学视觉交互分析的软件.

Robin Skånberg1, Ingrid Hotz1, Anders Ynnerman1

  • 1Linköping University, SE-581 83 Linköping, Sweden.

Journal of chemical information and modeling
|November 27, 2023
PubMed
概括

VIAMD是一个新的应用程序,将3D分子可视化与分析工具集成在一起. 这通过增强步骤之间的协同作用和相互作用来改善分子动力学 (MD) 分析工作流.

科学领域:

  • 计算化学和生物物理学
  • 分子建模和模拟分子模型

背景情况:

  • 传统的分子动力学 (MD) 分析工作流程通常涉及不同的工具,导致分散和低效的过程.
  • 分析步骤之间缺乏协同作用,阻碍了对分子行为的全面理解.

研究的目的:

  • 介绍VIAMD,一个用于3D分子轨迹可视化和灵活分析的集成应用程序.
  • 加强分子动力学分析工作流程中的协同作用和相互作用.

主要方法:

  • 将分子轨迹的3D可视化与可适应的分析组件集成在一起.
  • 实现一个交互式脚本界面用于属性定义和评估.
  • 通过可视化提供上下文意识的建议和反.

主要成果:

  • 用户定义的属性可以与空间结构一起探索和分析.
  • 方便分布的统计分析和多维属性的聚合,如空间分布函数.
  • 显示空间形状和分析的属性之间的相关性得到了改善.

结论:

  • VIAMD提供了一个统一的平台,以推进分子动力学可视化和分析.
  • 该应用程序有可能显著提高各种科学学科的研究效率.

更多相关视频

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

4.5K
Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
05:00

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs

Published on: August 9, 2024

1.3K

相关实验视频

Last Updated: Jun 16, 2026

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis
11:29

Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis

Published on: December 18, 2014

11.9K
Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

4.5K
Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
05:00

Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs

Published on: August 9, 2024

1.3K
  • VIAMD为克服传统的,分散的MD分析工作流程的局限性提供了一个有希望的解决方案.