DE-STRESS: a user-friendly web application for the evaluation of protein designs.

DE-STRESS: a user-friendly web application for the evaluation of protein designs.
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DOI:
10.1093/protein/gzab029
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发表时间:
2021-02-15
期刊:
Protein engineering, design & selection : PEDS
影响因子:
--
通讯作者:
Wood CW
Wood CW
中科院分区:
其他
文献类型:
--
作者:
Stam MJ;Wood CW

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从头蛋白质设计是一个快速发展的领域,现在文献中有许多有趣且有用的蛋白质设计示例。然而,大多数设计在实验室表征时可能被归类为失败,通常是由于低表达、错误折叠、聚集或缺乏功能。这种高损耗率使得蛋白质设计不可靠且成本高昂。如果能够快速、轻松地生成信息和一组有关设计的高质量指标,那么其中一些故障可能会在设计过程的早期被发现,这些信息和一组高质量的设计指标可用于就哪些设计进行实验表征做出可重复的、数据驱动的决策。我们推出 DE-STRESS(设计结构评估服务),这是一个用于评估设计和工程蛋白质的结构模型的网络应用程序。 DE-STRESS 的设计简单、使用直观且反应灵敏。它提供了有关设计的大量信息,以及帮助将结果置于上下文中并正式描述设计需要符合目的的属性的工具。
De novo protein design is a rapidly growing field, and there are now many interesting and useful examples of designed proteins in the literature. However, most designs could be classed as failures when characterised in the lab, usually as a result of low expression, misfolding, aggregation or lack of function. This high attrition rate makes protein design unreliable and costly. It is possible that some of these failures could be caught earlier in the design process if it were quick and easy to generate information and a set of high-quality metrics regarding designs, which could be used to make reproducible and data-driven decisions about which designs to characterise experimentally. We present DE-STRESS (DEsigned STRucture Evaluation ServiceS), a web application for evaluating structural models of designed and engineered proteins. DE-STRESS has been designed to be simple, intuitive to use and responsive. It provides a wealth of information regarding designs, as well as tools to help contextualise the results and formally describe the properties that a design requires to be fit for purpose.
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