関連する実験動画

Updated: Sep 10, 2025

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

Published on: October 1, 2017

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誘導等価拡散に基づく標的意識の3D分子生成

Qiaoyu Hu1, Changzhi Sun2, Huan He3

  • 1Innovation Center for AI and Drug Discovery, School of Pharmacy, East China Normal University, Shanghai, China. qyuhu@hsc.ecnu.edu.cn.

Nature communications
|August 25, 2025
PubMed
まとめ

DiffGuiは新しい拡散モデルで,プロパティガイドと原子と結合拡散を統合することで,薬剤設計のための現実的な3D分子を生成します. このアプローチは分子構造と 薬のような性質を高め 薬の発見を向上させます

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関連する概念動画

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...
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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.
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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...
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