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

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

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

38
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...
38
Molecular Models02:00

Molecular Models

37.8K
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.
37.8K

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

Systematic bottom-up coarse-graining of hydrated excess proton transport across scales.

Nature computational science·2026
Same author

Mechanism of HIV-1 Capsid Rupture and Uncoating by Reverse Transcription.

bioRxiv : the preprint server for biology·2026
Same author

Physical Confinement Modulates the Rate-Limiting Transition in the Release of Phosphate from Actin Filaments.

bioRxiv : the preprint server for biology·2026
Same author

Hydration-Controlled Proton Transport in Respiratory Complex I.

Journal of the American Chemical Society·2026
Same author

Mechanistic insights into lenacapavir-induced off-pathway HIV-1 capsid assembly.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

Adaptations in Plasmodium tubulin determine distinct microtubule architectures, mechanics and drug susceptibility.

Nature communications·2026
Same journal

Metastable excited states of iodide-alkyl halide cluster anions: Insights from photodetachment spectroscopy and non-Hermitian quantum chemistry.

The Journal of chemical physics·2026
Same journal

Pressure-induced thermal expansion anomalies in dhcp iron hydride associated with magnetoelastic coupling.

The Journal of chemical physics·2026
Same journal

Seniority eigenstate configuration interaction.

The Journal of chemical physics·2026
Same journal

A data-driven modeling study on the accurate identification of Doppler-free saturated absorption spectra in diatomic tellurium (130Te2).

The Journal of chemical physics·2026
Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026
Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026
查看所有相关文章

相关实验视频

Updated: May 31, 2025

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
09:17

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

Published on: March 1, 2022

3.1K

基于的方法来制定自下而上的超粗粒度模型.

Patrick G Sahrmann1, Gregory A Voth1

  • 1Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, USA.

The Journal of chemical physics
|January 22, 2025
PubMed
概括
此摘要是机器生成的。

超粗粒度 (UCG) 建模通过结合多体相互作用来增强模拟. 新的方法改善了UCG模型的开发,以捕捉系统异质性和相位共存.

更多相关视频

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
10:58

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Published on: July 25, 2013

17.0K
From Voxels to Knowledge: A Practical Guide to the Segmentation of Complex Electron Microscopy 3D-Data
12:08

From Voxels to Knowledge: A Practical Guide to the Segmentation of Complex Electron Microscopy 3D-Data

Published on: August 13, 2014

24.5K

相关实验视频

Last Updated: May 31, 2025

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
09:17

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

Published on: March 1, 2022

3.1K
Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
10:58

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Published on: July 25, 2013

17.0K
From Voxels to Knowledge: A Practical Guide to the Segmentation of Complex Electron Microscopy 3D-Data
12:08

From Voxels to Knowledge: A Practical Guide to the Segmentation of Complex Electron Microscopy 3D-Data

Published on: August 13, 2014

24.5K

科学领域:

  • 计算化学和生物物理学
  • 材料科学和凝结物质物理学 材料科学和凝结物质物理学

背景情况:

  • 粗粒度 (CG) 建模桥梁原子化和更大的规模,但与精度-效率权衡作斗争.
  • 将多体相互作用纳入CG模型对于准确性至关重要,但计算成本昂贵.
  • 超粗粒度 (UCG) 使用内部状态来包括多体效应,但系统模型开发仍然具有挑战性.

研究的目的:

  • 开发用于构建自下而上的UCG模型的协同方法.
  • 使UCG能够捕捉到原子系统中的同质性,例如相位共存.
  • 提高生物分子系统UCG模型的效率和可转移性.

主要方法:

  • 通过相对最小化系统的UCG力场构造.
  • 机器学习应用程序用于最佳的局部顺序参数.
  • 适用于甲醇液体-蒸汽接口和脂质双层系统.

主要成果:

  • 展示了UCG力场参数化的系统方法.
  • 利用机器学习来提高UCG模型的效率和可转移性.
  • 通过UCG建模,成功地回顾了相位共存现象.

结论:

  • 开发的方法有助于创建准确和高效的UCG模型.
  • UCG建模可以捕捉复杂的现象,如相位共存,以前在CG模拟中没有观察到.
  • 这项工作促进了UCG的应用,用于研究异质生物分子系统.