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评估蛋白质-蛋白质相互作用预测:CAPRI实验。

Assessing predictions of protein-protein interaction: the CAPRI experiment.

作者信息

Janin Joël

机构信息

Laboratoire d'Enzymologie et Biochimie Structurales, CNRS, 91198-Gif-sur-Yvette, France.

出版信息

Protein Sci. 2005 Feb;14(2):278-83. doi: 10.1110/ps.041081905.

Abstract

The Critical Assessment of PRedicted Interactions (CAPRI) experiment was designed in 2000 to test protein docking algorithms in blind predictions of the structure of protein-protein complexes. In four years, 17 complexes offered by crystallographers as targets prior to publication, have been subjected to structure prediction by docking their two components. Models of these complexes were submitted by predictor groups and assessed by comparing their geometry to the X-ray structure and by evaluating the quality of the prediction of the regions of interaction and of the pair wise residue contacts. Prediction was successful on 12 of the 17 targets, most of the failures being due to large conformation changes that the algorithms could not cope with. Progress in the prediction quality observed in four years indicates that the experiment is a powerful incentive to develop new procedures that allow for flexibility during docking and incorporate nonstructural information. We therefore call upon structural biologists who study protein-protein complexes to provide targets for further rounds of CAPRI predictions.

摘要

蛋白质相互作用预测关键评估(CAPRI)实验于2000年设计,用于在蛋白质 - 蛋白质复合物结构的盲预测中测试蛋白质对接算法。四年来,晶体学家在发表前提供的17个复合物作为靶标,通过对接其两个组分进行结构预测。这些复合物的模型由预测组提交,并通过将其几何结构与X射线结构进行比较以及评估相互作用区域和成对残基接触预测的质量来进行评估。17个靶标中有12个预测成功,大多数失败是由于算法无法应对的大构象变化。四年中观察到的预测质量的进步表明,该实验有力地推动了开发在对接过程中允许灵活性并纳入非结构信息的新程序。因此,我们呼吁研究蛋白质 - 蛋白质复合物的结构生物学家提供靶标,用于进一步的CAPRI预测轮次。

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