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ModFOLD6:一个用于全局和局部 3D 蛋白质模型质量评估的准确的网络服务器。

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

机构信息

School of Biological Sciences, University of Reading, Whiteknights, Reading RG6 6AS, UK.

出版信息

Nucleic Acids Res. 2017 Jul 3;45(W1):W416-W421. doi: 10.1093/nar/gkx332.

DOI:10.1093/nar/gkx332
PMID:28460136
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5570241/
Abstract

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/.

摘要

方法可靠地估计蛋白质的预测结构和天然结构之间的相似性,已经成为推动生命科学家接受和采用三维蛋白质模型的关键。ModFOLD6 是我们领先的估计模型准确性(EMA)资源的最新版本,它使用了开创性的混合准单模型方法。ModFOLD6 服务器整合了三种纯单模型方法和三种准单模型方法的分数,使用神经网络来估计局部质量分数。此外,该服务器根据用户的需求提供了三种生成全局得分估计的选项:(i)ModFOLD6_rank,它针对排名/选择进行了优化;(ii)ModFOLD6_cor,它针对预测得分和观察得分的相关性进行了优化;(iii)ModFOLD6_global,用于平衡性能。根据 CASP12 评估员的独立盲测,ModFOLD6 方法在 EMA 中排名前几。ModFOLD6 服务器也是作为 CAMEO 项目的一部分不断自动评估的,与我们之前的服务器和其他公开可用的服务器相比,它的性能有了显著提高。ModFOLD6 服务器可免费使用:http://www.reading.ac.uk/bioinf/ModFOLD/。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5a1/5570241/d0e8a07bfc19/gkx332fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5a1/5570241/de9e07eb8c3b/gkx332fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5a1/5570241/d0e8a07bfc19/gkx332fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5a1/5570241/de9e07eb8c3b/gkx332fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5a1/5570241/d0e8a07bfc19/gkx332fig2.jpg

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