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

12.8K
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...
12.8K
Molecular Models02:00

Molecular Models

38.2K
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.
38.2K
Ligand Binding and Linkage00:49

Ligand Binding and Linkage

4.8K
Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked.  In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
4.8K
The Equilibrium Binding Constant and Binding Strength02:18

The Equilibrium Binding Constant and Binding Strength

12.9K
The equilibrium binding constant (Kb) quantifies the strength of a protein-ligand interaction. Kb can be calculated as follows when the reaction is at equilibrium:
12.9K
Conserved Binding Sites01:49

Conserved Binding Sites

4.2K
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...
4.2K
Gene Families01:57

Gene Families

8.8K
Gene families consist of groups of genes proposed to have originated from a common ancestor. Typically these arise through events in which a gene or genes are mistakenly duplicated during cell division. Unlike their parent genes (which are subject to selection pressure to maintain function), these gene copies do not need to preserve their sequences and may evolve at a relatively faster rate.
Occasionally these regions can be adapted to take on new roles within the organism, becoming novel genes...
8.8K

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

Precision fragment addition: domain-specific DeepFrag2 models for smarter lead optimization.

Digital discovery·2026
Same author

Hypermutable hotspot enables the rapid evolution of self/non-self recognition genes in <i>Dictyostelium</i>.

Proceedings of the National Academy of Sciences of the United States of America·2025
Same author

Hypermutable hotspot enables the rapid evolution of self/non-self recognition genes in <i>Dictyostelium</i>.

bioRxiv : the preprint server for biology·2025
Same author

CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks.

Journal of chemical information and modeling·2024
Same author

Genome mining yields putative disease-associated ROMK variants with distinct defects.

PLoS genetics·2023
Same author

Worth the Weight: Sub-Pocket EXplorer (SubPEx), a Weighted Ensemble Method to Enhance Binding-Pocket Conformational Sampling.

Journal of chemical theory and computation·2023
Same journal

Correction to 'scSuperAnnotator: A platform for benchmarking comparison and visualizing automated cellular annotation methods for scRNA-seq data'.

Nucleic acids research·2026
Same journal

Correction to 'Differentiable partition function calculation for RNA'.

Nucleic acids research·2026
Same journal

Deployment of non-canonical splicing in tunicate genomes is mediated by divergent U2AF function and changing m6A modification in U1 and U6 snRNA.

Nucleic acids research·2026
Same journal

Bacillus subtilis DnaB forms multiple protein-protein interactions essential for DNA replication initiation.

Nucleic acids research·2026
Same journal

Multiple forms of protein-protein and DNA binding are exhibited by BrxC from the BREX phage restriction system.

Nucleic acids research·2026
Same journal

Biosynthesis of glycosylated 5-hydroxycytosine in the DNA of diverse viruses.

Nucleic acids research·2026
查看所有相关文章

相关实验视频

Updated: Jun 25, 2025

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

1.2K

莫尔莫达:在Web浏览器中可访问和安全的分子对接.

Yuri Kochnev1, Mayar Ahmed1, Alex M Maldonado1

  • 1Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA, USA.

Nucleic acids research
|May 23, 2024
PubMed
概括
此摘要是机器生成的。

MolModa是一个新的基于网络的分子对接工具,可以简化药物发现. 它提供了一个安全和可访问的平台来预测化合物-标相互作用,帮助研究人员优先考虑候选药物.

更多相关视频

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

9.8K
Author Spotlight: Advancing Therapeutics to Treat Vibriosis in Humans and Aquatic Organisms
03:29

Author Spotlight: Advancing Therapeutics to Treat Vibriosis in Humans and Aquatic Organisms

Published on: May 31, 2024

447

相关实验视频

Last Updated: Jun 25, 2025

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

1.2K
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

9.8K
Author Spotlight: Advancing Therapeutics to Treat Vibriosis in Humans and Aquatic Organisms
03:29

Author Spotlight: Advancing Therapeutics to Treat Vibriosis in Humans and Aquatic Organisms

Published on: May 31, 2024

447

科学领域:

  • 计算化学的计算化学
  • 药物发现 药物发现 药物发现
  • 结构生物学 结构生物学

背景情况:

  • 分子对接对于早期药物发现至关重要,它可以预测小分子和药物标之间的相互作用.
  • 现有的对接工具通常会带来可用性,安全性和可维护性挑战,阻碍广泛采用.
  • 传统的对接工作流程的复杂性为非专家用户创造了重大障碍.

研究的目的:

  • 介绍MolModa,一个新的,安全的,可访问的基于Web的环境,用于执行分子对接.
  • 通过案例研究来证明MolModa在提供宝贵的生物学见解方面的实用性.
  • 将MolModa与现有的对接工具进行比较,强调其优点和局限性.

主要方法:

  • 开发一个安全的,基于浏览器的平台,用于分子对接.
  • 实施用户友好的工作流程,以简化对接过程.
  • 通过两个案例研究进行验证,并与其他对接软件进行比较分析.

主要成果:

  • 摩尔莫达完全在Web浏览器内实现分子对接,提高了可访问性.
  • 案例研究表明,MolModa能够产生重要的生物学见解.
  • 对比分析强调了MolModa在可用性和可访问性方面的优势.

结论:

  • 莫尔莫达为药物发现中的分子对接提供了一个安全,可访问和用户友好的解决方案.
  • 该平台降低了非专家用户执行复杂对接分析的障碍.
  • 摩尔莫达是免费提供学术和商业用途,促进更广泛的采用.