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Advances in protein structure prediction and design.
Nature Reviews Molecular Cell Biology ( IF 81.3 ) Pub Date : 2019-08-15 , DOI: 10.1038/s41580-019-0163-x
Brian Kuhlman 1, 2 , Philip Bradley 3, 4
Affiliation  

The prediction of protein three-dimensional structure from amino acid sequence has been a grand challenge problem in computational biophysics for decades, owing to its intrinsic scientific interest and also to the many potential applications for robust protein structure prediction algorithms, from genome interpretation to protein function prediction. More recently, the inverse problem - designing an amino acid sequence that will fold into a specified three-dimensional structure - has attracted growing attention as a potential route to the rational engineering of proteins with functions useful in biotechnology and medicine. Methods for the prediction and design of protein structures have advanced dramatically in the past decade. Increases in computing power and the rapid growth in protein sequence and structure databases have fuelled the development of new data-intensive and computationally demanding approaches for structure prediction. New algorithms for designing protein folds and protein-protein interfaces have been used to engineer novel high-order assemblies and to design from scratch fluorescent proteins with novel or enhanced properties, as well as signalling proteins with therapeutic potential. In this Review, we describe current approaches for protein structure prediction and design and highlight a selection of the successful applications they have enabled.

中文翻译:

蛋白质结构预测和设计的进展。

几十年来,从氨基酸序列预测蛋白质三维结构一直是计算生物物理学中的一个巨大挑战问题,因为它具有内在的科学意义,也因为强大的蛋白质结构预测算法从基因组解释到蛋白质功能的许多潜在应用预言。最近,逆问题——设计将折叠成特定三维结构的氨基酸序列——作为合理工程具有生物技术和医学功能的蛋白质的潜在途径,引起了越来越多的关注。在过去的十年中,蛋白质结构的预测和设计方法取得了巨大的进步。计算能力的提高以及蛋白质序列和结构数据库的快速增长推动了新的数据密集型和计算要求高的结构预测方法的开发。用于设计蛋白质折叠和蛋白质-蛋白质界面的新算法已用于设计新颖的高阶组装体,并从头开始设计具有新颖或增强特性的荧光蛋白,以及具有治疗潜力的信号蛋白。在这篇综述中,我们描述了当前蛋白质结构预测和设计的方法,并重点介绍了它们所实现的成功应用的选择。
更新日期:2019-08-16
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