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用于BIOEQS的图形用户界面:一个用于模拟和分析复杂生物分子相互作用的程序。

A graphical user interface for BIOEQS: a program for simulating and analyzing complex biomolecular interactions.

作者信息

Rosales Tilman, Royer Catherine A

机构信息

Laboratory of Molecular Biophysics, Optical Spectroscopy Section, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, MD 20892, USA.

出版信息

Anal Biochem. 2008 Oct 15;381(2):270-2. doi: 10.1016/j.ab.2008.05.056. Epub 2008 Jun 24.

Abstract

BIOEQS is a global analysis and simulation program for complex biomolecular interaction data developed during the 1990s. Its continued usefulness derives from the fact that it is based on a numerical solver for complex coupled biological equilibria rather than on closed-form analytical equations for the binding isotherms. Therefore, it is quite versatile, allowing easy testing of multiple binding models and analysis of systems too complex for closed-form solutions. However, a major drawback to a generalized use of this program has been the lack of a graphical user interface (GUI) for setting up the binding models and experimental conditions as well as for visualizing the results. We present here a new GUI for BIOEQS that should be useful in both research and teaching applications.

摘要

BIOEQS是一个用于复杂生物分子相互作用数据的全球分析和模拟程序,于20世纪90年代开发。它持续有用的原因在于它基于一个用于复杂耦合生物平衡的数值求解器,而不是基于结合等温线的封闭形式解析方程。因此,它非常通用,允许轻松测试多种结合模型,并分析对于封闭形式解来说过于复杂的系统。然而,广泛使用该程序的一个主要缺点是缺乏用于设置结合模型和实验条件以及可视化结果的图形用户界面(GUI)。我们在此展示了一个用于BIOEQS的新GUI,它在研究和教学应用中都应该很有用。

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本文引用的文献

1
Analysis of binding in macromolecular complexes: a generalized numerical approach.
Anal Biochem. 1990 Dec;191(2):287-94. doi: 10.1016/0003-2697(90)90221-t.
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Numerical analysis of binding data: advantages, practical aspects, and implications.
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