Evaluation of predictions in the CASP10 model refinement category.
Evaluation of predictions in the CASP10 model refinement category.
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DOI：
10.1002/prot.24377
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发表时间：
2014-02
影响因子：
2.9
通讯作者：
Jones, David T.
中科院分区：
文献类型：
--
作者：
Nugent, Timothy;Cozzetto, Domenico;Jones, David T.
在这里，我们报告了第三次实验的评估结果，以评估蛋白质模型细化的最新技术，其中邀请参与者提高 27 个目标的初始蛋白质模型的准确性。使用一系列补充评估措施，我们发现五个组的表现比朴素（零）方法更好——比 CASP9 显着改善，尽管只有三个组明显更好。领先的团队还展示了持续改善主链和侧链定位的能力，而其他团队则可靠地增强了蛋白质物理性的其他方面。排名第一的小组成功改善了近 90% 目标的主干构象，这表明 CASP 细化中的策略首次在大多数情况下取得了成功。许多问题仍未解决：大多数团队仍然未能提高起始模型的质量；即使是成功的团体也只能做出有限的改进；并且没有哪个预测比起始模型更类似于本机结构。成功的细化尝试也经常被忽视，正如当还考虑未作为模型 1 提交的预测时相对较大的改进所表明的那样。蛋白质 2014; 82（补编 2）：98-111。
Here we report on the assessment results of the third experiment to evaluate the state of the art in protein model refinement, where participants were invited to improve the accuracy of initial protein models for 27 targets. Using an array of complementary evaluation measures, we find that five groups performed better than the naïve (null) method—a marked improvement over CASP9, although only three were significantly better. The leading groups also demonstrated the ability to consistently improve both backbone and side chain positioning, while other groups reliably enhanced other aspects of protein physicality. The top-ranked group succeeded in improving the backbone conformation in almost 90% of targets, suggesting a strategy that for the first time in CASP refinement is successful in a clear majority of cases. A number of issues remain unsolved: the majority of groups still fail to improve the quality of the starting models; even successful groups are only able to make modest improvements; and no prediction is more similar to the native structure than to the starting model. Successful refinement attempts also often go unrecognized, as suggested by the relatively larger improvements when predictions not submitted as model 1 are also considered. Proteins 2014; 82(Suppl 2):98–111.
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