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

Protein and Protein Structure02:15

Protein and Protein Structure

87.1K
Proteins are one of the most abundant organic molecules in living systems and have the most diverse range of functions of all macromolecules. Proteins may be structural, regulatory, contractile, or protective. They may serve in transport, storage, or membranes; or they may be toxins or enzymes. Their structures, like their functions, vary greatly. They are all, however, amino acid polymers arranged in a linear sequence.
A protein's shape is critical to its function. For example, an enzyme...
87.1K
Structural Protein Function01:56

Structural Protein Function

29.8K
Structural proteins are a category of proteins responsible for functions ranging from cell shape and movement to providing support to major structures such as bones, cartilage, hair, and muscles. This group includes proteins such as collagen, actin, myosin, and keratin.
Collagen, the most abundant protein in mammals, is found throughout the body. In connective tissue, such as skin, ligaments, and tendons, it provides tensile strength and elasticity.  In bones and teeth, it mineralizes to...
29.8K
Structural Protein Function01:56

Structural Protein Function

3.2K
3.2K
Force On A Current Loop In A Magnetic Field01:17

Force On A Current Loop In A Magnetic Field

4.0K
Magnetic forces on wires carrying current are most frequently applied in motors. A DC motor is a device that converts electrical energy into mechanical work. In motors, wire loops are enclosed in a magnetic field. When current flows through the loops, the magnetic field applies torque, which causes the shaft to rotate. The direction of the current is reversed once the loop's surface area is lined up with the magnetic field, causing a constant torque on the loop. During the process, commutators...
4.0K
Protein and Protein Structures02:15

Protein and Protein Structures

18.8K
18.8K
Collagens are the Major Structural Proteins of ECM01:13

Collagens are the Major Structural Proteins of ECM

5.6K
Three main types of fibers are secreted by fibroblasts: collagen fibers, elastic fibers, and reticular fibers. Collagen fiber is made from fibrous protein subunits linked together to form a long, straight fiber. Collagen fibers, while flexible, have great tensile strength, resist stretching, and give ligaments and tendons their characteristic resilience and strength. These fibers hold connective tissues together, even during the body's movement.
Connective tissue proper includes loose...
5.6K

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

Noncanonical Folding of Peptoid Oligomers: Formation of a Closed Conformation in Nonpolar Solvent.

Organic letters·2026
Same author

Integrated NMR/MD investigation reveals differences after reweighting in conformational ensembles of GAAG and GCAA tetraloops.

RNA (New York, N.Y.)·2026
Same author

Effects of residue substitutions on the cellular abundance of proteins.

eLife·2026
Same author

StruCloze: A Unified Framework for Backmapping and Inpainting Biomolecule Structures.

Journal of chemical theory and computation·2026
Same author

A Stickiness Scale for Disordered Proteins.

The journal of physical chemistry. B·2026
Same author

Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE.

Journal of chemical information and modeling·2026
Same journal

Quantifying Spatially Resolved Hydration Thermodynamics Using Grid Inhomogeneous Solvation Theory [Article v1.0].

Living journal of computational molecular science·2026
Same journal

Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD [Article v1.0].

Living journal of computational molecular science·2025
Same journal

Deep Learning for Molecules and Materials.

Living journal of computational molecular science·2023
Same journal

A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2.0].

Living journal of computational molecular science·2023
Same journal

A Guide to the Continuous Constant pH Molecular Dynamics Methods in Amber and CHARMM [Article v1.0].

Living journal of computational molecular science·2023
Same journal

Interpreting Hydrogen-Deuterium Exchange Experiments with Molecular Simulations: Tutorials and Applications of the HDXer Ensemble Reweighting Software [Article v1.0].

Living journal of computational molecular science·2023
查看所有相关文章
  1. 首页
  2. 基于结构的实验数据集用于对蛋白质模拟力场的基准测试 [第v1.0条]
  1. 首页
  2. 基于结构的实验数据集用于对蛋白质模拟力场的基准测试 [第v1.0条]

相关实验视频

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

69.7K

基于结构的实验数据集用于对蛋白质模拟力场的基准测试 [第v1.0条]

Chapin E Cavender1, David A Case2, Julian C-H Chen3

  • 1Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.

Living journal of computational molecular science
|January 23, 2026

在PubMed 上查看摘要

概括
此摘要是机器生成的。

本综述涵盖了核磁共振 (NMR) 谱学和蛋白质晶体学的实验数据,用于对蛋白质力场进行基准测试. 它指导计算研究人员使用这些数据集来评估模拟准确性.

更多相关视频

Simulation of Human-induced Vibrations Based on the Characterized In-field Pedestrian Behavior
10:52

Simulation of Human-induced Vibrations Based on the Characterized In-field Pedestrian Behavior

Published on: April 13, 2016

9.1K
Force-Clamp Rheometry for Characterizing Protein-based Hydrogels
09:55

Force-Clamp Rheometry for Characterizing Protein-based Hydrogels

Published on: August 21, 2018

7.4K

相关实验视频

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

69.7K
Simulation of Human-induced Vibrations Based on the Characterized In-field Pedestrian Behavior
10:52

Simulation of Human-induced Vibrations Based on the Characterized In-field Pedestrian Behavior

Published on: April 13, 2016

9.1K
Force-Clamp Rheometry for Characterizing Protein-based Hydrogels
09:55

Force-Clamp Rheometry for Characterizing Protein-based Hydrogels

Published on: August 21, 2018

7.4K

科学领域:

  • 生物物理学的生物物理.
  • 计算生物学 计算生物学
  • 结构生物学 结构生物学

背景情况:

  • 蛋白质力场对于分子动力学 (MD) 模拟是必不可少的.
  • 准确的力场对于可靠地预测蛋白质结构和动态至关重要.
  • 对力场的基准测试需要高质量的实验数据.

研究的目的:

  • 审查实验数据集,以对蛋白质力场进行基准测试.
  • 解释如何核磁共振 (NMR) 光谱和室温 (RT) 蛋白质结晶学数据可以评估力场的准确性.
  • 引导计算研究人员使用这些数据集进行分子动力学 (MD) 模拟.

主要方法:

  • 专注于结构导向的实验数据集.
  • 使用来自NMR光谱学的数据.
  • 将RT蛋白质结晶学数据纳入其中.
  • 将实验可观测物连接到MD模拟.

主要成果:

  • 核磁共振和RT结晶学为结构和动态提供了有价值的可观测数据.
  • 这些可观测值对于评估蛋白质力场精度至关重要.
  • 讨论了建立和分析基准模拟的最佳实践.

结论:

  • 实验数据,特别是来自NMR和RT结晶学,对于验证蛋白质力场至关重要.
  • 正确利用这些数据集可以提高MD模拟的可靠性.
  • 本综述是研究人员开发或使用蛋白质力场和机器学习模型的指南.