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

Van der Waals Interactions01:24

Van der Waals Interactions

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
Diffusion01:12

Diffusion

Diffusion is the passive movement of substances down their concentration gradients—requiring no expenditure of cellular energy. Substances, such as molecules or ions, diffuse from an area of high concentration to an area of low concentration in the cytosol or across membranes. Eventually, the concentration will even out, with the substance moving randomly but causing no net change in concentration. Such a state is called dynamic equilibrium, which is essential for maintaining overall...
Distribution and Dispersion00:54

Distribution and Dispersion

To understand intra-specific interactions in populations, scientists measure the spatial arrangement of species individuals. This geographic arrangement is known as the species distribution or dispersion. Highly territorial species exhibit a uniform distribution pattern, in which individuals are spaced at relatively equal distances from one another. Species that are highly tied to particular resources, such as food or shelter, tend to concentrate around those resources, and thus exhibit a...
Protein Diffusion in the Membrane01:24

Protein Diffusion in the Membrane

Proteins show rotational as well as lateral diffusion across the membrane. The lateral diffusion of proteins was confirmed through the cell fusion experiment where mouse and human cells were fused, resulting in hybrid cells. When the human and mouse cells fused, the specific membrane proteins on human and mouse cells were marked with the red and green-fluorescent markers, respectively. Initially, the red and green fluorescence was located on the respective hemisphere of the cell. As time...
Anionic Chain-Growth Polymerization: Mechanism01:04

Anionic Chain-Growth Polymerization: Mechanism

The mechanism for anionic chain-growth polymerization involves initiation, propagation, and termination steps. In the initiation step, a nucleophilic anion, such as butyl lithium, initiates the polymerization process by attacking the π bond of the vinylic monomer. As a result, a carbanion, stabilized by the electron‐withdrawing group, is generated. The resulting carbanion acts as a Michael donor in the propagation step and attacks the second vinylic monomer, which acts as a Michael acceptor.
Diffusion01:21

Diffusion

Diffusion is a type of passive transport. In passive transport, a substance tends to move from an area of high concentration to an area of low concentration until the concentration is equal across the space. For example, take the diffusion of substances through the air. When someone opens a perfume bottle in a room filled with people, the perfume is at its highest concentration in the bottle and is at its lowest at the edges of the room. The perfume vapor will diffuse, or spread away, from the...

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

Serum DSDNA is Associated With Psoriasis.

Experimental dermatology·2026
Same author

High-fidelity compressed high-speed imaging for resolving rapid micro-dynamics.

Optics express·2026
Same author

Eu<sup>2+</sup>-Activated KGa<sub>5</sub>S<sub>8</sub>: A New Super-Sensitive Green Emitting Phosphor for Pressure Sensing.

Small (Weinheim an der Bergstrasse, Germany)·2026
Same author

Effects of <i>Allium mongolicum</i> Essential Oil on Meat Quality and Flavor-Related Free Amino Acids in Finishing Lambs.

Animals : an open access journal from MDPI·2026
Same author

Replacing Dietary Roughage with Barley Hay Affects Rumen Fermentation, Microbial Community, Serum Immune and Antioxidant Status in Sheep.

Animals : an open access journal from MDPI·2026
Same author

<i>Allium mongolicum</i> Regel-Mediated Rumen Microbiota Intervention Modulates Hepatic Metabolome to Reduce 4-Alkyl Branched-Chain Fatty Acids in Lamb <i>Longissimus Thoracis</i> Muscle.

Foods (Basel, Switzerland)·2026
Same journal

K-attention: a biologically informed attention operator for data-efficient sequence-based omics modeling.

Briefings in bioinformatics·2026
Same journal

Accurate prediction of asparagine deamidation in biologics using advanced machine learning models.

Briefings in bioinformatics·2026
Same journal

scImmuneCo: a compendium of cell-type-specific functional modules for decoding immune responses from single-cell RNA-seq data.

Briefings in bioinformatics·2026
Same journal

scGenoByte: a GenoByte embedding transformer with biological priors for cell type annotation.

Briefings in bioinformatics·2026
Same journal

FerroScore: a statistical approach for quantifying tumor-related ferroptosis based on omics data.

Briefings in bioinformatics·2026
Same journal

METEOR: a data-adaptive Mendelian randomization method for powerful detection of shared and specific exposures underlying multiple outcomes.

Briefings in bioinformatics·2026
查看所有相关文章

相关实验视频

Updated: May 8, 2026

Microscale Vortex-assisted Electroporator for Sequential Molecular Delivery
10:51

Microscale Vortex-assisted Electroporator for Sequential Molecular Delivery

Published on: August 7, 2014

8.6K

导向扩散用于分子生成,具有相互作用提示.

Peng Wu1, Huabin Du2, Yingchao Yan2

  • 1Department of Urology, South China Hospital, Medical School, Shenzhen University, Fuxin Road, Longgang District, Shenzhen, 518116, China. Tel.: +86 0755 89798999.

Briefings in bioinformatics
|April 22, 2024
PubMed
概括
此摘要是机器生成的。

这项研究介绍了InterDiff,一种用于药物设计的新型扩散模型. 通过考虑与蛋白质热点的原子相互作用,InterDiff产生分子,改善向药物发现.

关键词:
原子相互作用是原子相互作用.扩散模型的扩散模型.分子生成模型的分子生成模型.快速学习 快速学习

更多相关视频

A Simple, Robust, and High Throughput Single Molecule Flow Stretching Assay Implementation for Studying Transport of Molecules Along DNA
12:05

A Simple, Robust, and High Throughput Single Molecule Flow Stretching Assay Implementation for Studying Transport of Molecules Along DNA

Published on: October 1, 2017

8.1K
Generating Controlled, Dynamic Chemical Landscapes to Study Microbial Behavior
10:07

Generating Controlled, Dynamic Chemical Landscapes to Study Microbial Behavior

Published on: January 31, 2020

6.1K

相关实验视频

Last Updated: May 8, 2026

Microscale Vortex-assisted Electroporator for Sequential Molecular Delivery
10:51

Microscale Vortex-assisted Electroporator for Sequential Molecular Delivery

Published on: August 7, 2014

8.6K
A Simple, Robust, and High Throughput Single Molecule Flow Stretching Assay Implementation for Studying Transport of Molecules Along DNA
12:05

A Simple, Robust, and High Throughput Single Molecule Flow Stretching Assay Implementation for Studying Transport of Molecules Along DNA

Published on: October 1, 2017

8.1K
Generating Controlled, Dynamic Chemical Landscapes to Study Microbial Behavior
10:07

Generating Controlled, Dynamic Chemical Landscapes to Study Microbial Behavior

Published on: January 31, 2020

6.1K

科学领域:

  • 计算化学是一种计算化学.
  • 药物发现 药物发现
  • 分子建模分子建模

背景情况:

  • 分子生成模型有助于为特定的蛋白质口袋设计分子.
  • 目前的模型缺乏对生成过程的控制,并忽略了关键的配体-蛋白相互作用.
  • 热点残留物是关键目标,因为它们对结合能量的贡献很大.

研究的目的:

  • 开发一个包含原子相互作用信息的指导分子生成模型.
  • 解决现有的生成模型中随机性和缺乏特异性的问题.
  • 为了能够设计具有与蛋白质热点所需相互作用的分子.

主要方法:

  • 开发InterDiff,一种交互提示指导的扩散模型.
  • 四种原子相互作用类型作为可学习的矢量嵌入的表示.
  • 利用这些嵌入作为指导残留物特定分子生成的条件.

主要成果:

  • InterDiff成功地以可控的方式生成具有所需联结体-蛋白相互作用的分子.
  • 在 silico 实验证明了该模型的有效性.
  • 对两种治疗剂的验证表明,InterDiff产生具有与现有药物相比较或优越的结合方式的分子.

结论:

  • InterDiff通过指导具有特定相互作用的分子生成,为基于结构的药物设计提供了一种新的方法.
  • 该模型显示了设计具有改进的结合亲和力和模式的向治疗方法的潜力.
  • 这项工作通过使更精确的分子设计成为可能,推动了人工智能驱动的药物发现领域的发展.