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相关概念视频

Introduction to Enzyme Kinetics01:19

Introduction to Enzyme Kinetics

20.0K
Enzyme kinetics studies the rates of biochemical reactions. Scientists monitor the reaction rates for a particular enzymatic reaction at various substrate concentrations. Additional trials with inhibitors or other molecules that affect the reaction rate may also be performed.
The experimenter can then plot the initial reaction rate or velocity (Vo) of a given trial against the substrate concentration ([S]) to obtain a graph of the reaction properties. For many enzymatic reactions involving a...
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Measuring Reaction Rates03:09

Measuring Reaction Rates

25.0K
Polarimetry finds application in chemical kinetics to measure the concentration and reaction kinetics of optically active substances during a chemical reaction. Optically active substances have the capability of rotating the plane of polarization of linearly polarized light passing through them—a feature called optical rotation. Optical activity is attributed to the molecular structure of substances. Normal monochromatic light is unpolarized and possesses oscillations of the electrical...
25.0K
The Integrated Rate Law: The Dependence of Concentration on Time02:39

The Integrated Rate Law: The Dependence of Concentration on Time

35.1K
While the differential rate law relates the rate and concentrations of reactants, a second form of rate law called the integrated rate law relates concentrations of reactants and time. Integrated rate laws can be used to determine the amount of reactant or product present after a period of time or to estimate the time required for a reaction to proceed to a certain extent. For example, an integrated rate law helps determine the length of time a radioactive material must be stored for its...
35.1K
Enzyme Kinetics01:19

Enzyme Kinetics

96.5K
Enzymes speed up reactions by lowering the activation energy of the reactants. The speed at which the enzyme turns reactants into products is called the rate of reaction. Several factors impact the rate of reaction, including the number of available reactants. Enzyme kinetics is the study of how an enzyme changes the rate of a reaction.
Scientists typically study enzyme kinetics with a fixed amount of enzyme in the controlled environment of a test tube. When more reactant, or substrate, is...
96.5K
Noncompartmental Analysis: Statistical Moment Theory00:56

Noncompartmental Analysis: Statistical Moment Theory

104
Noncompartmental analyses leverage statistical moment theory to examine time-related changes in macroscopic events, encapsulating the collective outcomes stemming from the constituent elements in play. Statistical moment theory is a mathematical approach used to describe the time course of drug concentration in the body without assuming a specific compartmental model. SMT provides insights into drug absorption, distribution, metabolism, and elimination by treating drug concentration versus time...
104
One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation01:24

One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation

482
This lesson introduces two critical methods in pharmacokinetics, the Wagner-Nelson and Loo-Riegelman methods, used for estimating the absorption rate constant (ka) for drugs administered via non-intravenous routes. The Wagner-Nelson method relates ka to the plasma concentration derived from the slope of a semilog percent unabsorbed time plot. However, it is limited to drugs with one-compartment kinetics and can be impacted by factors like gastrointestinal motility or enzymatic degradation.
On...
482

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Using Three-color Single-molecule FRET to Study the Correlation of Protein Interactions
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Using Three-color Single-molecule FRET to Study the Correlation of Protein Interactions

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短时间的稀有元动力学用于改善动力学推理推理.

Ofir Blumer1, Shlomi Reuveni1,2,3, Barak Hirshberg1,2,3

  • 1School of Chemistry, Tel Aviv University, Tel Aviv 6997801, Israel.

Journal of chemical theory and computation
|April 26, 2024
PubMed
概括

本研究引入了一个改进的推理方案,用于不频繁的元动力学模拟. 通过使用短轨迹,它提高了估计长时间尺度过程速率的准确性和速度,而无需额外的计算成本.

科学领域:

  • 计算化学计算化学
  • 统计力学 统计力学
  • 分子动力学分子动力学

背景情况:

  • 稀有元动力学被广泛用于长时间过程的加速模拟.
  • 目前的推断方法依赖于重新调整首次通道时间,但仅限于波桑动力学,需要缓慢的偏差沉积和最佳集体变量.

研究的目的:

  • 为稀有元动力学开发一个改进的推理方案,克服现有方法的局限性.
  • 提高模拟速度和准确性之间的权衡,特别是在低于最佳的集体变量.

主要方法:

  • 拟议的方案利用了两个关键的观察:时间独立的利率可以从短轨迹来估计,而短轨迹的偏差最小.
  • 推断是基于短时间尺度,利用这些轨迹的重新缩放的第一通道时间.

主要成果:

  • 改进的方案提供了更好的加速度-精度平衡,没有额外的计算成本.
  • 当使用非最佳集体变量时,它特别有效.
  • 该方法在一个模型系统和两个分子系统上成功演示.

结论:

  • 新的推理方案为分析加速模拟提供了更强大,更有效的方法.
  • 这种方法扩大了不频繁元力学的适用性,特别是在低于最佳的集体变量或有限的先前知识的场景中.

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