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相关概念视频

Fluid Mosaic Model01:34

Fluid Mosaic Model

The fluid mosaic model was first proposed as a visual representation of research observations. The model comprises the composition and dynamics of membranes and serves as a foundation for future membrane-related studies. The model depicts the structure of the plasma membrane with a variety of components, which include phospholipids, proteins, and carbohydrates. These integral molecules are loosely bound, defining the cell’s border and providing fluidity for optimal function.LipidsThe most...
Static and Kinetic Frictional Force01:05

Static and Kinetic Frictional Force

One of the simpler characteristics of sliding friction is that it is parallel to the contact surfaces between systems, and is always in a direction that opposes the motion or attempted motion of the systems relative to each other. If two systems are in contact and moving relative to one another, then the friction between them is called kinetic friction. For example, kinetic friction slows a hockey puck sliding on ice.
However, if two systems are in contact and are stationary relative to one...
Non-conservative Forces01:17

Non-conservative Forces

Non-conservative forces are dissipative forces such as friction or air resistance. These forces take energy away from a system as it progresses. Unlike conservative forces, non-conservative forces do not have potential energy associated with them. This is because the energy is lost to the system and cannot be turned into useful work later.
Also unlike their conservative counterparts, they are path-dependent; where the object starts and stops does matter. For example, a grinding wheel applies a...
Equilibrium Conditions for a Particle01:23

Equilibrium Conditions for a Particle

When an object is in equilibrium, it is either at rest or moving with a constant velocity. There are two types of equilibrium: static and dynamic. Static equilibrium occurs when an object is at rest, while dynamic equilibrium occurs when an object is moving with a constant velocity. In both cases, there must be a balance of forces acting on the object.
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
The Kinetic Model of Gases01:24

The Kinetic Model of Gases

The kinetic model of gases explains the properties of a perfect gas using three main assumptions: molecules move in ceaseless random motion, their size is negligible compared to the distances between them, and they do not interact except during perfectly elastic collisions. The total energy of a gas is the sum of the kinetic energies of all its constituent molecules. The pressure exerted by the gas arises from the continual bombardment of the container walls by billions of colliding molecules.
Reaction Mechanisms: The Steady-State Approximation01:26

Reaction Mechanisms: The Steady-State Approximation

The steady-state approximation, also referred to as the quasi-steady-state approximation to differentiate it from a true steady state, is a widely used method for simplifying calculations in complex reaction mechanisms. This approach is particularly useful when dealing with multi-step reactions that involve reverse reactions or several steps, which can significantly increase mathematical complexity and make the reactions nearly unsolvable analytically.The steady-state approximation operates on...

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相关实验视频

Updated: Jun 29, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

从显式溶剂中微秒分子动力学模拟的环闭合动力学.

In-Chul Yeh1, Gerhard Hummer

  • 1Laboratory of Chemical Physics, Building 5, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520, USA.

Journal of the American Chemical Society
|June 6, 2002
PubMed
概括
此摘要是机器生成的。

分子动力学模拟显示,端到端接触迅速形成,在10秒内. 这一发现与托三重组状态寿命的实验测量一致,为早期蛋白质折叠事件提供了洞察力.

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
07:31

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on: September 1, 2023

相关实验视频

Last Updated: Jun 29, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
07:31

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on: September 1, 2023

科学领域:

  • 生物物理学的生物物理.
  • 计算化学的计算化学
  • 蛋白质折叠的动态 蛋白质折叠的动态

背景情况:

  • 测试端到端接触形成率的实验测量最近使用托三重灭进行.
  • 了解环闭合动力学对于阐明蛋白质折叠的早期事件至关重要.

研究的目的:

  • 通过全原子明确溶剂分子动力学模拟,研究不同长度的两个的循环闭合动力学.
  • 将模拟结果直接与实验数据进行比较,并分析未折叠状态中的动力学.

主要方法:

  • 进行了多个全原子明确溶剂分子动力学模拟,用于Cys-(Ala-Gly-Gln) n-Trp (n=1,2) 具有不同的初始条件和力场 (AMBER,CHARMM).
  • 收集了大量的模拟数据 (1.0-0.8微秒为五,每~0.5微秒为八) 用于原子分辨率分析.
  • 在未折叠状态下分析了的动态,以探测早期的蛋白质折叠事件.

主要成果:

  • 计算的托芬三倍体状态寿命在50-100 ns的范围内,与实验结果一致.
  • 观察到明显更快的端到端接触形成率,特征时间小于10 ns.
  • 证明了AMBER和CHARMM力场之间的接触形成率相似,尽管形合集的变化.

结论:

  • 分子动力学模拟为早期蛋白质折叠动力学提供了宝贵的原子分辨率见解.
  • 端到端接触形成是一个快速的过程,发生的时间比以前一些实验数据的解释所建议的更快.
  • 选择的力场 (AMBER与CHARMM) 对这些的计算端到端接触形成率的影响最小.