用于分析蛋白质复合体形成的计算机程序。

S Lay, D Bray
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引用次数: 6

摘要

动机:我们需要一种有效的方法来探索导致已知组成和结构的蛋白质复合物的结合反应。结果:描述了一个新的程序,允许用户定义一组蛋白质元素,并在图形界面中将这些元素连接到寡聚物“球-棒”组装中。一旦确定了低聚物的结构,该程序就会采用一种新的算法来推断从其起始蛋白质组分中生成低聚物所需的结合反应和中间复合物。该程序还发现系统的平衡状态,使用默认的开始浓度和Kd值或用户提供的数据。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A computer program for the analysis of protein complex formation.

Motivation: We needed an efficient way to explore the binding reactions leading to protein complexes of known composition and structure.

Results: A new program is described that allows the user to define a set of protein elements and to link these elements into an oligomeric 'ball-and-stick' assembly in a graphical interface. Once the structure of the oligomer has been defined, the program then employs a novel algorithm to deduce the binding reactions and intermediate complexes needed to make the oligomer from its starting protein components. The program also finds the equilibrium state of the system, using either default starting concentrations and Kd values or data supplied by the user.

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