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关注计算蛋白质工程计划 IPRO 和 OptMAVEn 以及代谢途径工程计划 optStoic。

Concerns with computational protein engineering programmes IPRO and OptMAVEn and metabolic pathway engineering programme optStoic.

机构信息

Department of Chemical Engineering, Pennsylvania State University, University Park, PA 16802-4400, USA.

出版信息

Open Biol. 2021 Feb;11(2):200173. doi: 10.1098/rsob.200173. Epub 2021 Feb 3.

Abstract

It has become customary in engineering to require a modelling component in research endeavours. In addition, as the code for these models becomes more byzantine in complexity, it is difficult for reviewers and readers to discern their value and understand the underlying code. This opinion piece summarizes the negative experience of the author with the IPRO and OptMAVEn computational protein engineering models as well as problems with the optStoic metabolic pathway model. In our hands, these models often fail to predict reliable ways to engineer proteins and metabolic pathways.

摘要

在工程领域,人们已经习惯在研究工作中要求建立模型。此外,随着这些模型的代码变得越来越复杂,审稿人和读者很难辨别它们的价值,也很难理解底层代码。本文简要总结了作者在使用 IPRO 和 OptMAVEn 计算蛋白质工程模型以及 optStoic 代谢途径模型中遇到的问题。在我们的实践中,这些模型往往无法预测可靠的蛋白质和代谢途径工程方法。

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本文引用的文献

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Innovation by Evolution: Bringing New Chemistry to Life (Nobel Lecture).进化中的创新:为生命带来新化学(诺贝尔奖演讲)。
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