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

Sampling Plans01:23

Sampling Plans

167
Sampling is a crucial step in analytical chemistry, allowing researchers to collect representative data from a large population. Common sampling methods include random, judgmental, systematic, stratified, and cluster sampling.
Random sampling is a method where each member of the population has an equal chance of being selected for the sample. It involves selecting individuals randomly, often using random number generators or lottery-type methods. For example, when analyzing the properties of a...
167
Protein Dynamics in Living Cells01:19

Protein Dynamics in Living Cells

2.1K
Different fluorescence-based techniques are used to study the protein dynamics in living cells. These techniques include FRAP, FRET, and PET.
Fluorescent recovery after photobleaching (FRAP) is a fluorescent-protein-based detection technique used to quantify protein movement rates within the cell. This method exposes a small portion of the cell to an intense laser beam. The laser beam causes permanent photobleaching of the fluorophore-tagged proteins in the exposed region. As the bleached...
2.1K
Sampling Methods: Overview01:06

Sampling Methods: Overview

277
A sample refers to a smaller subset representative of a larger population. In analytical chemistry, studying or analyzing an entire population is often impractical or impossible. Therefore, samples are used to draw inferences and generalize the whole population. The sampling method selects individuals or items from a population to create a sample. Standard sampling methods include random, judgemental, systematic, stratified, and cluster sampling. 
In analytical chemistry, the choice of...
277
Mechanistic Models: Compartment Models in Individual and Population Analysis01:23

Mechanistic Models: Compartment Models in Individual and Population Analysis

27
Mechanistic models are utilized in individual analysis using single-source data, but imperfections arise due to data collection errors, preventing perfect prediction of observed data. The mathematical equation involves known values (Xi), observed concentrations (Ci), measurement errors (εi), model parameters (ϕj), and the related function (ƒi) for i number of values. Different least-squares metrics quantify differences between predicted and observed values. The ordinary least...
27
Sampling Methods: Sample Types01:18

Sampling Methods: Sample Types

181
Sampling materials are classified into three main types: solid, liquid, and gas.
Solid samples include a variety of substances, such as sediments from water bodies, soil, metals, and biological tissues. Two standard methods for extracting sediments from water bodies are grab sampling and piston coring. Grab sampling involves using a device to collect a discrete sediment sample from the bottom of a water body with minimal disturbance. Grab samples do not always represent the entire area due to...
181

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

Explainable Machine Learning Guided Enhanced Sampling of Protein Conformational Transition in HSP90.

Journal of chemical theory and computation·2026
Same author

Free energy landscapes of host-guest binding from adaptive bias enhanced sampling.

Physical chemistry chemical physics : PCCP·2026
Same author

Characterizing RNA Tetramer Conformational Landscape Using Explainable Machine Learning.

The journal of physical chemistry letters·2026
Same author

Data-driven enhanced sampling of mechanistic pathways.

Proceedings of the National Academy of Sciences of the United States of America·2025
Same author

Discriminant analysis optimizes progress coordinate in weighted ensemble simulations of rare event kinetics.

The Journal of chemical physics·2025
Same author

Data efficient learning of molecular slow modes from nonequilibrium metadynamics.

The Journal of chemical physics·2025

相关实验视频

Updated: Jun 5, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.2K

整合路径采样与用于罕见事件动态的增强采样.

Dhiman Ray1

  • 1Department of Chemistry and Biochemistry, University of Oregon, Eugene, Oregon 97403, USA.

The Journal of chemical physics
|December 9, 2024
PubMed
概括
此摘要是机器生成的。

本研究引入了一种综合采样算法,结合了增强型和路径采样方法,以有效地研究罕见的分子事件. 这种方法加快了复杂的生物过程的模拟,如蛋白质展开和连接体-受体相互作用.

更多相关视频

A Protocol for Real-time 3D Single Particle Tracking
10:16

A Protocol for Real-time 3D Single Particle Tracking

Published on: January 3, 2018

14.8K
An Unbiased Approach of Sampling TEM Sections in Neuroscience
10:56

An Unbiased Approach of Sampling TEM Sections in Neuroscience

Published on: April 13, 2019

7.2K

相关实验视频

Last Updated: Jun 5, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.2K
A Protocol for Real-time 3D Single Particle Tracking
10:16

A Protocol for Real-time 3D Single Particle Tracking

Published on: January 3, 2018

14.8K
An Unbiased Approach of Sampling TEM Sections in Neuroscience
10:56

An Unbiased Approach of Sampling TEM Sections in Neuroscience

Published on: April 13, 2019

7.2K

科学领域:

  • 计算化学的计算化学
  • 分子动力学分子动力学
  • 生物物理学的生物物理.

背景情况:

  • 在分子系统中模拟长时间的罕见事件在计算上具有挑战性.
  • 现有的方法,如增强采样 (例如,元动力学) 和路径采样 (例如,加权组合) 有局限性.

研究的目的:

  • 开发一种新的综合采样 (IS) 算法,该算法结合了有偏见的增强采样和无偏见的路径采样.
  • 提高研究罕见分子事件的计算效率和准确性.

主要方法:

  • 权重组合 (路径采样) 与类似于元动力学的算法 (增强采样) 的整合.
  • 应用IS算法来建模形转换,蛋白质展开和受体复合体解离.

主要成果:

  • 该IS算法协同优势和减轻单个采样方法的弱点.
  • 证明了计算效率的提高,用于计算复杂分子转换的动力学.
  • 显示了沿着最小自由能量路径直接采样的能力,即使在非最佳集体变量.

结论:

  • 开发的IS算法为研究罕见分子事件提供了一种强大而高效的方法.
  • 这种方法适用于与生物学和制药相关的复杂分子系统.
  • IS算法增强了对蛋白质动态和分子识别等关键过程的模拟.