Specificity in computational protein design.
Specificity in computational protein design.
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DOI：
10.1074/jbc.r110.157685
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发表时间：
2010-10-08
期刊：
影响因子：
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通讯作者：
Havranek JJ
中科院分区：
文献类型：
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作者：
Havranek JJ
计算蛋白质设计的一个长期目标是创造与自然界中发现的蛋白质相似的蛋白质。动机之一是为了我们自己的目的而利用蛋白质的精致功能。设计蛋白质和天然蛋白质之间的相似程度也表明我们的模型如何忠实地代表决定蛋白质序列的选择压力。随着蛋白质设计领域的重点从复制天然蛋白质结构转向功能，这些模型处理分子相互作用中特异性的概念变得很重要。尽管在某些情况下，可以通过优化分离的所需蛋白质来实现特异性，但已经开发出方法来直接满足对表现出特定功能和相互作用的蛋白质的需求。
A long-standing goal of computational protein design is to create proteins similar to those found in Nature. One motivation is to harness the exquisite functional capabilities of proteins for our own purposes. The extent of similarity between designed and natural proteins also reports on how faithfully our models represent the selective pressures that determine protein sequences. As the field of protein design shifts emphasis from reproducing native-like protein structure to function, it has become important that these models treat the notion of specificity in molecular interactions. Although specificity may, in some cases, be achieved by optimization of a desired protein in isolation, methods have been developed to address directly the desire for proteins that exhibit specific functions and interactions.