基于分子动力学的酶反应机理

Na Li, Xuezhong Li
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摘要

从统计力学的角度研究酶的反应机理。酶促反应被认为是一个布朗粒子穿过势垒的过程。在Langevin方程和Kramers速率过程模型的基础上,建立了反应速度模型,并通过蒙特卡罗模拟描述了反应速度与温度、阻尼、活化能等条件的关系。从动力学分子的角度解释了反应条件、速度的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mechanism of Enzyme Reaction Based on Dynamics Molecular
We study Mechanism of enzyme reaction from the perspective of statistical mechanics. The enzymatic reaction is regarded a process of Brownian particle cross pass through potential barrier. We establish a model based on Langevin equation and Kramers rate process model and describe a relationship of between reaction velocity and conditions such as temperature, damping, activation energy by Monte Carlo simulations. We interpreted the effects of reaction conditions velocity by viewpoint of dynamics molecular.
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