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

Diffusion01:12

Diffusion

215.9K
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...
215.9K
Passive Diffusion: Overview and Kinetics01:17

Passive Diffusion: Overview and Kinetics

1.2K
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...
1.2K
Multi-Step Reactions02:31

Multi-Step Reactions

8.6K
Chemical reactions often occur in a stepwise fashion involving two or more distinct reactions taking place in a sequence. A balanced equation indicates the reacting species and the product species, but it reveals no details about how the reaction occurs at the molecular level. The reaction mechanism (or reaction path) provides details regarding the precise, step-by-step process by which a reaction occurs. Each of the steps in a reaction mechanism is called an elementary reaction. These...
8.6K
Metabolism of Chemolithotrophs01:15

Metabolism of Chemolithotrophs

757
Chemolithotrophs are microorganisms that obtain energy by oxidizing inorganic molecules such as hydrogen gas (H₂), ammonia (NH₃), reduced sulfur compounds (H₂S, S²⁻), and ferrous iron (Fe²⁺). Unlike heterotrophic organisms that rely on organic carbon, chemolithotrophs transfer electrons from these inorganic donors to the electron transport chain (ETC), generating a proton motive force (PMF) that drives ATP synthesis through oxidative phosphorylation.
757
Synthetic Biology02:55

Synthetic Biology

5.5K
Synthetic biology is an interdisciplinary science that involves using principles from disciplines such as engineering, molecular biology, cell biology, and systems biology. It involves remodeling existing organisms from nature or constructing completely new synthetic organisms for applications such as protein or enzyme production, bioremediation, value-added macromolecule production, and the addition of desirable traits to crops, to name a few.
Golden rice
Golden rice is a genetically modified...
5.5K

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

Prediction of Lithium Therapeutic Target Attainment in Adolescents Using an XGBoost Model: A Single-Center Retrospective Study.

Drug design, development and therapy·2026
Same author

Application of escitalopram population pharmacokinetic repository: a step to precision dosing.

Translational psychiatry·2026
Same author

Advancing Daptomycin Precision Dosing Through Evaluation of Published Population Pharmacokinetic Models and Development of a Dosing Tool.

Drug design, development and therapy·2026
Same author

Programmable DNA-Based Molecular Reservoir Biocomputing Network Circuits with Emerging Biomemristors for Solving Complex Nonlinear Problems.

ACS synthetic biology·2026
Same author

Bridging Literature and Real-World Evidence: External Evaluation and Development of Fluoxetine Population Pharmacokinetics Model.

Pharmaceutics·2025
Same author

Population pharmacokinetics of caspofungin in critically ill Chinese children: a prospective observational study.

Antimicrobial agents and chemotherapy·2025
Same journal

QSAR in the Browser: An Interactive Cheminformatics Web Application.

Journal of chemical information and modeling·2026
Same journal

FoldDoF: Utilizing the Primary Degrees of Freedom of Protein Backbone for Geometric Modeling and Generation.

Journal of chemical information and modeling·2026
Same journal

Derisking Affinity Optimization for Macrocycles and Cyclic Peptides: High-Precision Free Energy Simulations across Five Diverse Targets.

Journal of chemical information and modeling·2026
Same journal

An End-User Audit of Reproducibility, Data Leakage, and Overfitting of the Top-Ranked ADMET Prediction Models in TDC Leaderboards.

Journal of chemical information and modeling·2026
Same journal

PFASGroups: An Open-Source Framework for Automated Identification, Structural Classification, and Prioritization of Per- and Polyfluoroalkyl Substances.

Journal of chemical information and modeling·2026
Same journal

DeepKbhb: Context-Aware Prediction of Human Lysine β-Hydroxybutyrylation Sites.

Journal of chemical information and modeling·2026
查看所有相关文章

相关实验视频

Updated: Jan 13, 2026

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

6.6K

DiffMeta-RL:强化学习指导图谱扩散用于代谢稳定的分子生成.

Dayan Liu1,2, Tao Song1,2, Shuang Wang1,2

  • 1College of Computer Science and Technology, China University of Petroleum (East China), Qingdao 266580, Shandong, China.

Journal of chemical information and modeling
|October 29, 2025
PubMed
概括
此摘要是机器生成的。

研究人员开发了DiffMeta-RL,一种新的AI模型,通过减少细胞染色体P450 (CYP450) 酶相互作用来优化药物代谢稳定性. 这种方法通过提高生物可用性和减少临床失败来增强药物发现.

更多相关视频

Inherent Dynamics Visualizer, an Interactive Application for Evaluating and Visualizing Outputs from a Gene Regulatory Network Inference Pipeline
10:44

Inherent Dynamics Visualizer, an Interactive Application for Evaluating and Visualizing Outputs from a Gene Regulatory Network Inference Pipeline

Published on: December 7, 2021

2.6K
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

8.6K

相关实验视频

Last Updated: Jan 13, 2026

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

6.6K
Inherent Dynamics Visualizer, an Interactive Application for Evaluating and Visualizing Outputs from a Gene Regulatory Network Inference Pipeline
10:44

Inherent Dynamics Visualizer, an Interactive Application for Evaluating and Visualizing Outputs from a Gene Regulatory Network Inference Pipeline

Published on: December 7, 2021

2.6K
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

8.6K

科学领域:

  • * 计算化学 计算机化学
  • * 药物发现中的人工智能
  • * 药理学 药理学 药理学

背景情况:

  • *优化ADMET的特性,特别是代谢稳定性,对于药物发现至关重要.
  • * 细胞P450 (CYP450) 酶显著影响药物代谢,清除和潜在的药物相互作用.
  • *不良的CYP450相互作用导致临床药物失败率高.

研究的目的:

  • * 开发一种人工智能驱动的方法,以优化药物分子,提高代谢稳定性.
  • * 创建一个可控制的分子生成框架,尽量减少CYP450责任.
  • * 提高早期药物发现的效率和成功率.

主要方法:

  • * 开发了DiffMeta-RL,一种包含强化学习的离散图形扩散模型.
  • * 通过直接优化传播模式作为政策,实施了简化强化学习方法.
  • *将MetaCYP,一种CYP450抑制预测剂,集成到引导分子生成的奖励功能中.

主要成果:

  • *与现有模型相比,DiffMeta-RL在有效性,独特性和新性方面表现出卓越的表现.
  • *生成的质子抑制剂 (PPI) 候选者显示出有利的预测结合亲和力.
  • * 设计的PPI对CYP2C19和CYP3A4代谢的敏感性降低.

结论:

  • * DiffMeta-RL为设计具有增强代谢稳定性的候选药物提供了一种强大,可控制的方法.
  • *将CYP450抑制预测直接集成到生成过程中,可以简化优化.
  • * 这种人工智能框架具有促进药物发现和降低消耗率的巨大潜力.