Jove
Visualize
联系我们

相关概念视频

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

85
Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
85
Molecular Models02:00

Molecular Models

38.7K
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.
38.7K

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

CryptoBank: A resource for the identification and prediction of cryptic sites in proteins.

Science advances·2026
Same author

Exploring Secondary Structure Predictions for RNA-Targeted Drug Discovery: Power and Challenges.

Journal of chemical information and modeling·2026
Same author

Critical Assessment of a Structure-Based Pipeline for Targeting the Long Noncoding RNA MALAT1.

Journal of chemical information and modeling·2026
Same author

A Transferable and Robust Computational Framework for Class A GPCR Activation Free Energies.

The journal of physical chemistry letters·2026
Same author

pH-dependent allosteric remodeling of a bacterial riboswitch couples alkaline activation to metal sensing.

bioRxiv : the preprint server for biology·2026
Same author

Making PLUMED Fly: A Tutorial on Optimizing Performance.

The journal of physical chemistry. B·2026
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

相关实验视频

Updated: Jul 28, 2025

Contrast-Matching Detergent in Small-Angle Neutron Scattering Experiments for Membrane Protein Structural Analysis and Ab Initio Modeling
10:27

Contrast-Matching Detergent in Small-Angle Neutron Scattering Experiments for Membrane Protein Structural Analysis and Ab Initio Modeling

Published on: October 21, 2018

12.4K

同时完善分子动力学组合和前模型,使用实验数据.

Thorben Fröhlking1, Mattia Bernetti1, Giovanni Bussi1

  • 1Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, 34136 Trieste, Italy.

The Journal of chemical physics
|June 5, 2023
PubMed
概括

这项研究引入了一种新的计算方法,使用贝叶斯推理和分子模拟来改进RNA结构动态. 这种方法提高了卡普勒斯参数的准确性,这对于解释核磁共振数据至关重要.

科学领域:

  • 计算化学是一种计算化学.
  • 结构生物学是结构生物学.
  • 生物物理学的生物物理.

背景情况:

  • 卡普勒斯参数对于将RNA二面角与NMR3J合信号联系起来至关重要.
  • 准确的结构动态对于理解RNA功能至关重要.
  • 现有方法在纠错和参数可转移方面可能存在局限性.

研究的目的:

  • 开发一种新的计算框架来改进RNA结构动态.
  • 为了提高RNA系统的Karplus参数的准确性和可转移性.
  • 同时纠正前模型错误和重量结构组合.

主要方法:

  • 集成最大的原理,贝叶斯的集合推理,和经验前模型优化.
  • 对RNA四重体和六重体进行了广泛的分子模拟.
  • 模拟数据与实验核磁共振数据的结合.

主要成果:

  • 一种新的方法来重新权衡采样结构动态,以匹配实验数据.
  • 同时纠正前模型的不准确性,防止错误的传播.
  • 通过交叉验证和规范化开发可转移的Karplus参数.

结论:

更多相关视频

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

392
Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
07:31

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

2.3K

相关实验视频

Last Updated: Jul 28, 2025

Contrast-Matching Detergent in Small-Angle Neutron Scattering Experiments for Membrane Protein Structural Analysis and Ab Initio Modeling
10:27

Contrast-Matching Detergent in Small-Angle Neutron Scattering Experiments for Membrane Protein Structural Analysis and Ab Initio Modeling

Published on: October 21, 2018

12.4K
Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

392
Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
07:31

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

2.3K
  • 提出的框架使得RNA结构动态的精确细化成为可能.
  • 获得了新的Karplus参数集,平衡了实验一致性和组合忠实性.
  • 该方法为分析RNA结构-溶液动态提供了一个强大的方法.