Moult John, Fidelis Krzysztof, Kryshtafovych Andriy, Schwede Torsten, Tramontano Anna
Institute for Bioscience and Biotechnology Research and Department of Cell Biology and Molecular Genetics, University of Maryland, Rockville, Maryland, 20850.
Proteins. 2014 Feb;82 Suppl 2(0 2):1-6. doi: 10.1002/prot.24452. Epub 2013 Dec 17.
This article is an introduction to the special issue of the journal PROTEINS, dedicated to the tenth Critical Assessment of Structure Prediction (CASP) experiment to assess the state of the art in protein structure modeling. The article describes the conduct of the experiment, the categories of prediction included, and outlines the evaluation and assessment procedures. The 10 CASP experiments span almost 20 years of progress in the field of protein structure modeling, and there have been enormous advances in methods and model accuracy in that period. Notable in this round is the first sustained improvement of models with refinement methods, using molecular dynamics. For the first time, we tested the ability of modeling methods to make use of sparse experimental three-dimensional contact information, such as may be obtained from new experimental techniques, with encouraging results. On the other hand, new contact prediction methods, though holding considerable promise, have yet to make an impact in CASP testing. The nature of CASP targets has been changing in recent CASPs, reflecting shifts in experimental structural biology, with more irregular structures, more multi-domain and multi-subunit structures, and less standard versions of known folds. When allowance is made for these factors, we continue to see steady progress in the overall accuracy of models, particularly resulting from improvement of non-template regions.
本文是对《蛋白质》杂志特刊的介绍,该特刊致力于第十次蛋白质结构预测关键评估(CASP)实验,以评估蛋白质结构建模的当前水平。文章描述了实验的开展情况、所包含的预测类别,并概述了评估程序。这10次CASP实验跨越了蛋白质结构建模领域近20年的发展历程,在此期间,方法和模型准确性都取得了巨大进步。此轮值得注意的是,使用分子动力学的优化方法首次使模型得到持续改进。我们首次测试了建模方法利用稀疏实验三维接触信息的能力,比如可从新实验技术获得的信息,结果令人鼓舞。另一方面,新的接触预测方法虽前景广阔,但在CASP测试中尚未产生影响。在最近几次CASP中,CASP目标的性质一直在变化,反映出实验结构生物学的转变,出现了更多不规则结构、更多多结构域和多亚基结构,以及已知折叠的标准版本减少。考虑到这些因素,我们继续看到模型整体准确性稳步提高,特别是非模板区域的改进带来了这种提高。