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

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
Ligand Binding and Linkage00:49

Ligand Binding and Linkage

3.1K
3.1K
Ladder Diagrams: Complexation Equilibria01:07

Ladder Diagrams: Complexation Equilibria

372
Ladder diagrams are useful for evaluating equilibria involving metal-ligand complexes. The vertical scale of the ladder diagram represents the concentration of unreacted or free ligand, pL. The horizontal lines on the scale depict the log of stepwise formation constants for metal-ligand complexes and indicate the dominant species in all the regions.
The formation constant, K1, for the formation of Cd(NH3)2+ complex from cadmium and ammonia is 3.55 × 102. Log K1 (i.e. pNH3) is 2.55, and...
372
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

26.8K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
26.8K
Ligand-Gated Ion Channel Receptor: Gating Mechanism01:30

Ligand-Gated Ion Channel Receptor: Gating Mechanism

2.3K
Ligand-gated ion channels are transmembrane proteins that play a vital role in intercellular communication and functions of the nervous system. They allow the influx of ions across the membrane once the neurotransmitter binds, allowing the subsequent transmission of electrical excitation across the neurons. Other ligand-gated ion channels, like the γ-aminobutyric acid (GABA) receptor, permit anions like chloride into the cells on the binding of the GABA molecule. Their entry into the cell...
2.3K
Molecular Shapes01:18

Molecular Shapes

57.0K
Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.
Two regions of electron density in a diatomic...
57.0K

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

PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity Data.

Journal of chemical information and modeling·2026
Same author

Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail.

Journal of chemical information and modeling·2026
Same author

Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints.

Journal of chemical information and modeling·2026
Same author

ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data.

Journal of chemical information and modeling·2026
Same author

From evidence to action: implementing the Nordic Nutrition Recommendations in national policy.

The Proceedings of the Nutrition Society·2025
Same author

A bottom-up approach to find lead compounds in expansive chemical spaces.

Communications chemistry·2025

相关实验视频

Updated: Jul 20, 2025

Modeling an Enzyme Active Site using Molecular Visualization Freeware
14:37

Modeling an Enzyme Active Site using Molecular Visualization Freeware

Published on: December 25, 2021

9.9K

PoseEdit:通过交互式2D图表增强了连接体结合模式通信.

Konrad Diedrich1, Bennet Krause1,2, Ole Berg1

  • 1Universität Hamburg, ZBH-Center for Bioinformatics, 20146, Hamburg, Germany.

Journal of computer-aided molecular design
|July 29, 2023
PubMed
概括

PoseEdit通过交互式2D编辑器增强了连接体结合可视化,用于创建和修改分子相互作用图表. 这个工具帮助科学家有效地传达复杂的结构信息.

关键词:
2D结构图,二维结构图.分子相互作用分子相互作用.可变分子可视化可视化姿势图 姿势图 姿势图在PoseView中使用PoseView.蛋白质数据库 蛋白质数据库蛋白联体复合体 蛋白联体复合体

更多相关视频

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

1.3K
Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
09:30

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

1.4K

相关实验视频

Last Updated: Jul 20, 2025

Modeling an Enzyme Active Site using Molecular Visualization Freeware
14:37

Modeling an Enzyme Active Site using Molecular Visualization Freeware

Published on: December 25, 2021

9.9K
Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

1.3K
Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
09:30

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

1.4K

科学领域:

  • 结构生物学 结构生物学
  • 计算化学的计算化学
  • 生物信息学是一种生物信息学.

背景情况:

  • 对分子相互作用的准确可视化对于理解药物发现和生物过程至关重要.
  • 现有的可视化蛋白质-联结体相互作用的工具往往缺乏灵活性和用户驱动的定制.

研究的目的:

  • 介绍PoseEdit,这是PoseView工具的交互式前端,可实现加强分子间相互作用的2D图表生成.
  • 为科学家提供一个用户友好的界面来定制和沟通连接体结合模式.

主要方法:

  • 开发一个与PoseView可视化工具集成的交互式2D编辑器.
  • 实现编辑,扩展,合并和从头创建图表的功能.
  • 集成同步的2D-3D视图,用于分析宏分子-连接体复合体.

主要成果:

  • PoseEdit允许在3D结合点中自动生成高质量的分子间相互作用2D图.
  • 用户可以在图表中广泛编辑图形对象,化学特性和图形风格.
  • 该工具促进了同步的2D-3D查看,以简化对结构特征和相互作用的分析.

结论:

  • PoseEdit显著提高了分子相互作用图的交互性和可定制性.
  • 该工具使科学家能够创建量身定制的可视化,以便有效地传递连接体结合信息.
  • 通过ProteinsPlus网络服务器免费访问PoseEdit,促进在科学研究中更广泛地采用.