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A framework for improving protein structure predictions by teamwork

机译:通过团队合作改善蛋白质结构预测的框架

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摘要

Predicting the three dimensional structure of proteins is a difficult task. In the last years several approaches have been proposed for performing this task taking into account different protein chemical and physical properties. As a result, a growing number of protein structure prediction tools is becoming available, some of them being specialized to work on either some aspects of the predictions or on some categories of proteins. In this context, it becomes useful to jointly apply different prediction techniques and combine their results in order to improve the quality of the predictions. However, several problems have to be solved in order to make this a viable possibility. In this paper we propose a framework allowing to (ⅰ) define a common reference applicative domain for different prediction techniques, (ⅱ) characterize predictors through evaluating some quality parameters, (ⅲ) characterize the performances of a team of predictors jointly applied over a prediction problem and (ⅳ) obtain a unique prediction from the team. Finally, we highlight the application of this framework to the definition of a multi-agent system performing the team selection task, the integration of multiple, possibly heterogeneous, predictions and the translation of predictors inputs and outputs into a uniform data format.
机译:预测蛋白质的三维结构是一项艰巨的任务。近年来,考虑到不同的蛋白质化学和物理特性,提出了几种执行该任务的方法。结果,越来越多的蛋白质结构预测工具变得可用,其中一些专门用于预测的某些方面或某些类别的蛋白质。在这种情况下,联合应用不同的预测技术并组合其结果以提高预测质量变得很有用。但是,必须解决几个问题才能使其成为可行的可能性。在本文中,我们提出了一个框架,该框架允许(ⅰ)为不同的预测技术定义通用的参考应用域,(ⅱ)通过评估一些质量参数来表征预测器,(ⅲ)表征联合应用于预测的一组预测器的性能问题(ⅳ)从团队获得独特的预测。最后,我们强调了该框架在执行团队选择任务的多主体系统的定义,多个(可能是异构的)预测的集成以及将预测变量的输入和输出转换为统一数据格式中的应用。

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