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计算方法预测突变蛋白的稳定性:概述。

Predicting the stability of mutant proteins by computational approaches: an overview.

机构信息

University of Salerno.

Institute of Food Sciences, CNR Italy.

出版信息

Brief Bioinform. 2021 May 20;22(3). doi: 10.1093/bib/bbaa074.

DOI:10.1093/bib/bbaa074
PMID:32496523
Abstract

A very large number of computational methods to predict the change in thermodynamic stability of proteins due to mutations have been developed during the last 30 years, and many different web servers are currently available. Nevertheless, most of them suffer from severe drawbacks that decrease their general reliability and, consequently, their applicability to different goals such as protein engineering or the predictions of the effects of mutations in genetic diseases. In this review, we have summarized all the main approaches used to develop these tools, with a survey of the web servers currently available. Moreover, we have also reviewed the different assessments made during the years, in order to allow the reader to check directly the different performances of these tools, to select the one that best fits his/her needs, and to help naïve users in finding the best option for their needs.

摘要

在过去的 30 年中,已经开发出了大量的计算方法来预测由于突变导致的蛋白质热力学稳定性变化,并且目前有许多不同的网络服务器可用。然而,它们中的大多数都存在严重的缺陷,降低了它们的整体可靠性,因此降低了它们在不同目标(如蛋白质工程或遗传疾病突变影响的预测)中的适用性。在这篇综述中,我们总结了所有用于开发这些工具的主要方法,并对当前可用的网络服务器进行了调查。此外,我们还回顾了多年来进行的不同评估,以便读者可以直接检查这些工具的不同性能,选择最适合自己需求的工具,并帮助新手用户找到最适合自己需求的选项。

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