College of Life Sciences & Key Laboratory for Molecular Enzymology and Engineering of Ministry of Education, Jilin University, 2699 Qian-Jin, Street, Changchun, China 130012.
Chem Soc Rev. 2010 Jun;39(6):2071-82. doi: 10.1039/b810924a. Epub 2010 Apr 20.
Computational protein design is becoming more and more important in both understanding the fundamental biological roles of proteins and facilitating their utilization in biotechnology. Based upon the significant progress in our understanding of protein folding, development of efficient sequence and conformational search algorithms and accurate scoring functions, and ever increasing computational resources, great progress has been made in design of single domain soluble proteins. There are also reports of membrane protein design, albeit very limited. This tutorial review will give a brief introduction, the state of the art, and future prospects and implications of protein design in improving healthcare and environment. The interplay between protein design, molecular simulations and experiments will be presented to emphasize the interdisciplinary nature of the field.
计算蛋白质设计在理解蛋白质的基本生物学功能和促进其在生物技术中的应用方面变得越来越重要。基于我们对蛋白质折叠理解的显著进展、高效序列和构象搜索算法和精确评分函数的开发，以及不断增加的计算资源，在单域可溶性蛋白质设计方面取得了巨大进展。也有关于膜蛋白设计的报道，尽管非常有限。本教程综述将简要介绍蛋白质设计在改善医疗保健和环境方面的现状、未来前景和影响。将介绍蛋白质设计、分子模拟和实验之间的相互作用，以强调该领域的跨学科性质。
