ModFOLD6: an accurate web server for the global and local quality estimation of 3D protein models.

ModFOLD6: an accurate web server for the global and local quality estimation of 3D protein models.
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ModFold6:用于3D蛋白质模型的全局和本地质量估计的准确Web服务器。

DOI:
10.1093/nar/gkx332
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发表时间:
2017-07-03
影响因子:
14.9
通讯作者:
McGuffin LJ
McGuffin LJ
中科院分区:
生物学2区
文献类型:
--
作者:
Maghrabi AHA;McGuffin LJ

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可靠地估计蛋白质的预测结构和天然结构之间可能的相似性的方法对于推动生命科学家接受和采用三维蛋白质模型至关重要。ModFOLD 6是我们领先的模型精度估计(EMA)资源的最新版本,它使用了开创性的混合准单模型方法。ModFOLD 6服务器使用神经网络集成了三种纯单模型方法和三种准单模型方法的分数,以估计局部质量分数。此外,服务器根据用户的要求提供了三个选项来生成全局分数估计:(i)ModFOLD6_rank,其针对排名/选择进行了优化;(ii)ModFOLD6_cor,其针对预测分数和观察分数的相关性进行了优化;以及(iii)ModFOLD 6 global,用于平衡性能。根据CASP 12评估员的独立盲法测试,ModFOLD 6方法在EMA中名列前茅。作为CAMEO项目的一部分,ModFOLD 6服务器也在不断进行自动评估,与我们以前的服务器和其他公开可用的服务器相比,我们已经观察到了显着的性能提升。ModFOLD 6服务器可在http://www.reading.ac.uk/bioinf/ModFOLD/上免费获得。
Methods that reliably estimate the likely similarity between the predicted and native structures of proteins have become essential for driving the acceptance and adoption of three-dimensional protein models by life scientists. ModFOLD6 is the latest version of our leading resource for Estimates of Model Accuracy (EMA), which uses a pioneering hybrid quasi-single model approach. The ModFOLD6 server integrates scores from three pure-single model methods and three quasi-single model methods using a neural network to estimate local quality scores. Additionally, the server provides three options for producing global score estimates, depending on the requirements of the user: (i) ModFOLD6_rank, which is optimized for ranking/selection, (ii) ModFOLD6_cor, which is optimized for correlations of predicted and observed scores and (iii) ModFOLD6 global for balanced performance. The ModFOLD6 methods rank among the top few for EMA, according to independent blind testing by the CASP12 assessors. The ModFOLD6 server is also continuously automatically evaluated as part of the CAMEO project, where significant performance gains have been observed compared to our previous server and other publicly available servers. The ModFOLD6 server is freely available at: http://www.reading.ac.uk/bioinf/ModFOLD/.
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