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相关概念视频

Diffusion01:12

Diffusion

187.3K
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...
187.3K
Molecular Models02:00

Molecular Models

37.7K
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.
37.7K
Behavior of Gas Molecules: Molecular Diffusion, Mean Free Path, and Effusion03:48

Behavior of Gas Molecules: Molecular Diffusion, Mean Free Path, and Effusion

28.5K
Although gaseous molecules travel at tremendous speeds (hundreds of meters per second), they collide with other gaseous molecules and travel in many different directions before reaching the desired target. At room temperature, a gaseous molecule will experience billions of collisions per second. The mean free path is the average distance a molecule travels between collisions. The mean free path increases with decreasing pressure; in general, the mean free path for a gaseous molecule will be...
28.5K
Protein Diffusion in the Membrane01:24

Protein Diffusion in the Membrane

4.3K
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...
4.3K
Passive Diffusion: Overview and Kinetics01:17

Passive Diffusion: Overview and Kinetics

360
Passive diffusion is a critical process that allows small lipophilic drugs to cross the cell membrane along a concentration gradient. This mechanism's efficiency depends on four primary factors: the membrane's surface area, the drug's lipid-water partition coefficient, the concentration gradient, and the membrane's thickness.
When administered orally, drugs establish a substantial concentration gradient between the gastrointestinal (GI) lumen and the bloodstream, expediting...
360
Physiological Pharmacokinetic Models: Blood Flow-Limited Versus Diffusion-Limited Models00:57

Physiological Pharmacokinetic Models: Blood Flow-Limited Versus Diffusion-Limited Models

56
Physiological pharmacokinetic models, often called flow-limited or perfusion models, typically assume a swift drug distribution between tissue and venous blood, creating a rapid drug equilibrium. This premise is based on the idea that drug diffusion is extremely fast, and the cell membrane presents no barrier to drug permeation. In this scenario, where no drug binding occurs, the drug concentration in the tissue equals that of the venous blood leaving the tissue. This greatly simplifies the...
56

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相关实验视频

Updated: Jul 14, 2026

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
06:55

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

Published on: September 26, 2016

药物差异:小分子扩散模型,灵活指导分子性质.

Marie Oestreich1,2, Erinc Merdivan3, Michael Lee4,5

  • 1Modular High-Performance Computing and Artificial Intelligence, German Center for Neurodegenerative Diseases (DZNE), Bonn, Germany. Marie.Oestreich@dzne.de.

Journal of cheminformatics
|February 26, 2025
PubMed
概括

研究人员开发了DrugDiff,这是一种灵活的深度生成模型,用于设计具有药物开发特定特性的新型小分子. 这种机器学习方法通过高效地产生多样化和独特的化合物来加速早期药物发现.

关键词:
药物开发 药物开发生成型建模是一种生成型建模.潜在的扩散扩散.有针对性的发电目标.

更多相关视频

Image Processing Protocol for the Analysis of the Diffusion and Cluster Size of Membrane Receptors by Fluorescence Microscopy
12:15

Image Processing Protocol for the Analysis of the Diffusion and Cluster Size of Membrane Receptors by Fluorescence Microscopy

Published on: April 9, 2019

Single-Molecule Tracking Microscopy - A Tool for Determining the Diffusive States of Cytosolic Molecules
10:20

Single-Molecule Tracking Microscopy - A Tool for Determining the Diffusive States of Cytosolic Molecules

Published on: September 5, 2019

相关实验视频

Last Updated: Jul 14, 2026

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
06:55

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

Published on: September 26, 2016

Image Processing Protocol for the Analysis of the Diffusion and Cluster Size of Membrane Receptors by Fluorescence Microscopy
12:15

Image Processing Protocol for the Analysis of the Diffusion and Cluster Size of Membrane Receptors by Fluorescence Microscopy

Published on: April 9, 2019

Single-Molecule Tracking Microscopy - A Tool for Determining the Diffusive States of Cytosolic Molecules
10:20

Single-Molecule Tracking Microscopy - A Tool for Determining the Diffusive States of Cytosolic Molecules

Published on: September 5, 2019

科学领域:

  • 药用化学 医学化学
  • 计算化学的计算化学
  • 药物发现 药物发现 药物发现

背景情况:

  • 药物开发面临着不利的成本/收益比率的挑战,需要创新的方法.
  • 机器学习,特别是深度生成模型,在加速早期药物发现阶段方面表现有前途.

研究的目的:

  • 研究深度生成模型的应用,用于基于新型小分子的属性设计.
  • 开发和评估一套灵活的生成框架,用于新型药物候选物生成.

主要方法:

  • 训练了一个潜在的扩散模型,名为DrugDiff,结合了预测指导.
  • 设计了一种灵活的架构,可以适应各种分子性质要求.
  • 使用开发的模型生成具有目标性质的新型小分子.

主要成果:

  • 成功生成了具有理想性质的独特,多样化和新型小分子.
  • 证明了该模型在适应不同房地产目标时的灵活性,而不需要再培训.
  • 在各种向的分子性质上取得了令人信服的性能.

结论:

  • DrugDiff将生成模型应用扩展到小分子,解决了药物开发中的复杂挑战.
  • 灵活的框架为基于财产的小分子生成提供了可适应的研究环境.
  • 这种方法为加速新疗法发现提供了一个有希望的途径.