Benkert Pascal, Künzli Michael, Schwede Torsten
Biozentrum, University of Basel, Switzerland.
Nucleic Acids Res. 2009 Jul;37(Web Server issue):W510-4. doi: 10.1093/nar/gkp322. Epub 2009 May 8.
Model quality estimation is an essential component of protein structure prediction, since ultimately the accuracy of a model determines its usefulness for specific applications. Usually, in the course of protein structure prediction a set of alternative models is produced, from which subsequently the most accurate model has to be selected. The QMEAN server provides access to two scoring functions successfully tested at the eighth round of the community-wide blind test experiment CASP. The user can choose between the composite scoring function QMEAN, which derives a quality estimate on the basis of the geometrical analysis of single models, and the clustering-based scoring function QMEANclust which calculates a global and local quality estimate based on a weighted all-against-all comparison of the models from the ensemble provided by the user. The web server performs a ranking of the input models and highlights potentially problematic regions for each model. The QMEAN server is available at http://swissmodel.expasy.org/qmean.
模型质量评估是蛋白质结构预测的一个重要组成部分，因为最终模型的准确性决定了其在特定应用中的实用性。通常，在蛋白质结构预测过程中会生成一组替代模型，随后必须从中选择最准确的模型。QMEAN服务器提供了对在社区范围的盲测实验CASP第八轮中成功测试的两个评分函数的访问。用户可以在复合评分函数QMEAN（它基于单个模型的几何分析得出质量估计）和基于聚类的评分函数QMEANclust之间进行选择，后者基于用户提供的模型集合中模型的加权全对全比较来计算全局和局部质量估计。该网络服务器对输入模型进行排名，并突出显示每个模型潜在的问题区域。QMEAN服务器可在http://swissmodel.expasy.org/qmean上获取。
