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使用MODELLER进行蛋白质结构建模。

Protein Structure Modeling with MODELLER.

作者信息

Webb Benjamin, Sali Andrej

机构信息

Department of Bioengineering and Therapeutic Sciences, Department of Pharmaceutical Chemistry, and California Institute for Quantitative Biosciences (QB3), University of California San Francisco, San Francisco, CA, 94143, USA.

出版信息

Methods Mol Biol. 2017;1654:39-54. doi: 10.1007/978-1-4939-7231-9_4.

Abstract

Genome sequencing projects have resulted in a rapid increase in the number of known protein sequences. In contrast, only about one-hundredth of these sequences have been characterized at atomic resolution using experimental structure determination methods. Computational protein structure modeling techniques have the potential to bridge this sequence-structure gap. In the following chapter, we present an example that illustrates the use of MODELLER to construct a comparative model for a protein with unknown structure. Automation of a similar protocol has resulted in models of useful accuracy for domains in more than half of all known protein sequences.

摘要

基因组测序项目已使已知蛋白质序列的数量迅速增加。相比之下,使用实验性结构测定方法在原子分辨率下对这些序列进行表征的仅约百分之一。计算蛋白质结构建模技术有潜力填补这一序列与结构之间的差距。在接下来的章节中,我们给出一个例子,说明如何使用MODELLER为结构未知的蛋白质构建比较模型。类似方案的自动化已为超过一半的所有已知蛋白质序列中的结构域生成了具有有用准确度的模型。

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