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基于网络的计算酶设计工具。

Web-based tools for computational enzyme design.

机构信息

Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5/C13, 625 00 Brno, Czech Republic; International Centre for Clinical Research, St. Anne's University Hospital Brno, Pekarska 53, 656 91 Brno, Czech Republic.

Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University, Kamenice 5/C13, 625 00 Brno, Czech Republic; International Centre for Clinical Research, St. Anne's University Hospital Brno, Pekarska 53, 656 91 Brno, Czech Republic.

出版信息

Curr Opin Struct Biol. 2021 Aug;69:19-34. doi: 10.1016/j.sbi.2021.01.010. Epub 2021 Mar 2.

Abstract

Enzymes are in high demand for very diverse biotechnological applications. However, natural biocatalysts often need to be engineered for fine-tuning their properties towards the end applications, such as the activity, selectivity, stability to temperature or co-solvents, and solubility. Computational methods are increasingly used in this task, providing predictions that narrow down the space of possible mutations significantly and can enormously reduce the experimental burden. Many computational tools are available as web-based platforms, making them accessible to non-expert users. These platforms are typically user-friendly, contain walk-throughs, and do not require deep expertise and installations. Here we describe some of the most recent outstanding web-tools for enzyme engineering and formulate future perspectives in this field.

摘要

酶在各种生物技术应用中需求量很大。然而,天然生物催化剂通常需要进行工程改造,以微调其特性,以适应最终应用,如活性、选择性、对温度或共溶剂的稳定性,以及溶解度。在这项任务中,计算方法越来越多地被使用,提供了预测,大大缩小了可能突变的空间,并可以极大地减少实验负担。许多计算工具都作为基于网络的平台提供,使非专业用户也可以使用。这些平台通常用户友好,包含操作指南,不需要深入的专业知识和安装。在这里,我们描述了一些最新的用于酶工程的杰出的网络工具,并提出了该领域的未来展望。

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