Search research articles

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 Journal Methods Collections JoVE Encyclopedia of Experiments 存档

教育

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual 教师资源中心教师网站

使用条款与条件

相关概念视频

Genetic Screens

Genetic Screens

Genetic screens are tools used to identify genes and mutations responsible for phenotypes of interest. Genetic screens help identify individuals or a group of people at risk of developing genetic diseases and help them with early intervention, targeted therapy, and reproductive options.
Forward genetic screens
Forward or “classical” genetic screens involve creating random mutations in an organism’s DNA using radiation, mutagens, or insertion of additional bases, which...

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

Allocation and characterisation factors for absolute environmental sustainability assessment.

Scientific data·2026

Same author

Text-to-flowsheet: an LLM-assisted pipeline for expert-level digitization and automated simulation of chemical processes.

Digital discovery·2026

Same author

Improved ab initio molecular dynamics-based vibrational spectroscopy for indirect hard modeling for bulk-phase vibrational spectroscopy using vibrational scaling and sampling diagnostics.

The Journal of chemical physics·2026

Same author

Automatic Differentiation for Enhanced Potential Energy Surface Navigation: Improved Minimum and Transition State Search in Molecular Dynamics.

Journal of chemical theory and computation·2026

Same author

StereoMolGraph: Stereochemistry-Aware Molecular and Reaction Graphs.

Journal of chemical information and modeling·2026

Same author

Solutions of Carboxymethylcellulose with Organic Counterions (I): The Influence of Counterion Properties on the Polymer Structure and Solubility.

Macromolecules·2026

Search research articles

相关实验视频

Updated: Apr 13, 2026

The Modular Design and Production of an Intelligent Robot Based on a Closed-Loop Control Strategy

The Modular Design and Production of an Intelligent Robot Based on a Closed-Loop Control Strategy

Published on: October 14, 2017

微调CAMD的遗传算法:以查为指导的温暖开始

Yifan Wang¹, Lorenz Fleitmann^1,2, Lukas Raßpe-Lange¹

¹Institute of Technical Thermodynamics, RWTH Aachen University, Schinkelstr. 8, 52062 Aachen, Germany.

Journal of chemical information and modeling

|February 18, 2025

概括

此摘要是机器生成的。

这项研究通过引入"热启动"遗传算法来增强计算机辅助分子设计 (CAMD). 这种方法加速了对可持续化学过程的最佳分子的发现,提高了效率,并发现了新型溶剂.

更多相关视频

Using Sniper-Cas9 to Minimize Off-target Effects of CRISPR-Cas9 Without the Loss of On-target Activity Via Directed Evolution

Using Sniper-Cas9 to Minimize Off-target Effects of CRISPR-Cas9 Without the Loss of On-target Activity Via Directed Evolution

Published on: February 26, 2019

Pooled CRISPR-Based Genetic Screens in Mammalian Cells

Pooled CRISPR-Based Genetic Screens in Mammalian Cells

Published on: September 4, 2019

相关实验视频

Last Updated: Apr 13, 2026

The Modular Design and Production of an Intelligent Robot Based on a Closed-Loop Control Strategy

The Modular Design and Production of an Intelligent Robot Based on a Closed-Loop Control Strategy

Published on: October 14, 2017

Using Sniper-Cas9 to Minimize Off-target Effects of CRISPR-Cas9 Without the Loss of On-target Activity Via Directed Evolution

Using Sniper-Cas9 to Minimize Off-target Effects of CRISPR-Cas9 Without the Loss of On-target Activity Via Directed Evolution

Published on: February 26, 2019

Pooled CRISPR-Based Genetic Screens in Mammalian Cells

Pooled CRISPR-Based Genetic Screens in Mammalian Cells

Published on: September 4, 2019

科学领域:

计算化学是一种计算化学.
分子建模分子建模
可持续的化学工程可持续的化学工程

背景情况:

计算机辅助分子设计 (CAMD) 对于开发可持续化学过程至关重要.
遗传算法 (GA) 在CAMD中常用,但可能很慢,并产生不理想的结果.
现有的CAMD方法需要提高效率和有效性.

研究的目的:

为CAMD提出一个微调的基因算法,增强COSMO-CAMD框架.
为了提高分子设计过程的速度,准确性和稳定性.
通过自动化碎片化和大规模选来实现GA的有针对性的初始化.

主要方法:

快速,大规模的分子查与COSMO-CAMD框架的整合.
使用自动化碎片化程序创建一个定制的碎片库.
实施"热启动"策略,在有前途的人口中初始化遗传算法.

主要成果:

与基准相比,刚刚开始的COSMO-CAMD框架显示了70%更快的趋同.
它确定了用于溶剂设计的4倍多的高性能候选分子.
为了取而发现了两种新型溶剂,始终找到最佳溶剂.

结论:

刚刚开始的COSMO-CAMD框架显著提高了分子设计的效率,有效性和稳定性.
这种方法加速了对可持续化学应用的最佳分子的识别.
该方法成功设计了有效的溶剂,用于从水溶液中提取特定化合物.