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Exploiting enzyme evolution for computational protein design
Trends in Biochemical Sciences ( IF 11.6 ) Pub Date : 2021-09-17 , DOI: 10.1016/j.tibs.2021.08.008
Gaspar P Pinto 1 , Marina Corbella 1 , Andrey O Demkiv 1 , Shina Caroline Lynn Kamerlin 1
Affiliation  

Recent years have seen an explosion of interest in understanding the physicochemical parameters that shape enzyme evolution, as well as substantial advances in computational enzyme design. This review discusses three areas where evolutionary information can be used as part of the design process: (i) using ancestral sequence reconstruction (ASR) to generate new starting points for enzyme design efforts; (ii) learning from how nature uses conformational dynamics in enzyme evolution to mimic this process in silico; and (iii) modular design of enzymes from smaller fragments, again mimicking the process by which nature appears to create new protein folds. Using showcase examples, we highlight the importance of incorporating evolutionary information to continue to push forward the boundaries of enzyme design studies.



中文翻译:

利用酶进化进行计算蛋白质设计

近年来,人们对了解影响酶进化的物理化学参数以及计算酶设计方面的重大进展产生了浓厚的兴趣。本综述讨论了进化信息可用作设计过程一部分的三个领域:(i)使用祖先序列重建(ASR)为酶设计工作产生新的起点;(ii) 学习大自然如何利用酶进化中的构象动力学来模拟这个过程; (iii) 酶的模块化设计来自较小的片段,再次模仿自然界似乎产生新的蛋白质折叠的过程。通过展示示例,我们强调了整合进化信息以继续推进酶设计研究的重要性。

更新日期:2021-09-17
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