Mechanism of Enzyme Reaction Based on Dynamics Molecular

Na Li, Xuezhong Li
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Abstract

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.
基于分子动力学的酶反应机理
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。
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