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基于常微分方程的酶反应模型的自动组装和校准。

Automatic Assembly and Calibration of Models of Enzymatic Reactions Based on Ordinary Differential Equations.

机构信息

Institute for Biochemistry, Faculty of Medicine, University of Ljubljana, Ljubljana, Slovenia.

National Institute of Chemistry, Ljubljana, Slovenia.

出版信息

Methods Mol Biol. 2022;2385:141-152. doi: 10.1007/978-1-0716-1767-0_7.

Abstract

Enzymatic reactions have been studied for more than a 100 years. Indeed, isolation of enzymes from biological materials is no longer the main source of enzymes today, as they are now largely produced using recombinant technology, or can even be synthesized from scratch. Studies of the three-dimensional structures of enzymes can provide answers to many questions, but the kinetics of enzymatic reactions is the only method that can lead to better understanding of their function. The complexity of high-throughput analysis of progress curves of data obtained can only be achieved through numerical solutions of a suitable system of ordinary differential equations. We have developed the freely available server ENZO: a web tool for derivation and evaluation of kinetic models of enzyme-catalyzed reactions ( http://enzo.cmm.ki.si/ ). ENZO can be used for simultaneous analysis of a series of progress curves obtained under many different conditions. In this chapter, we exemplify the principles and possibilities of this type of high-throughput analysis.

摘要

酶反应的研究已经超过 100 年了。事实上,如今酶已经不再主要从生物材料中分离提取,因为现在它们主要通过重组技术生产,甚至可以从头合成。对酶的三维结构的研究可以提供很多答案,但酶反应的动力学是唯一能够使其功能得到更好理解的方法。要想对获得的数据的进展曲线进行高通量分析,其复杂性只能通过对合适的常微分方程组的数值解来实现。我们开发了免费的 ENZO 服务器:一个用于推导和评估酶催化反应动力学模型的网络工具(http://enzo.cmm.ki.si/)。ENZO 可用于同时分析在许多不同条件下获得的一系列进展曲线。在本章中,我们举例说明了这种高通量分析的原理和可能性。

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