Giorgetti Alejandro, Raimondo Domenico, Miele Adriana Erica, Tramontano Anna
Department of Biochemical Sciences, University of Rome La Sapienza, Rome, Italy.
Bioinformatics. 2005 Sep 1;21 Suppl 2:ii72-6. doi: 10.1093/bioinformatics/bti1112.
We investigate the relationship between the quality of models of protein structure and their usefulness as search models in molecular replacement, a widely used method to experimentally determine protein structures by X-ray crystallography.
We used the available models submitted to the Critical Assessment of Techniques for Protein Structure Prediction to verify in which cases they can be automatically used as search templates for molecular replacement. Our results show that there is a correlation between the quality of the models and their suitability for molecular replacement but that the traditional method of relying on sequence identity between the model and the template used to build it is not diagnostic for the success of the procedure.
Additional data are available at http://cassandra.bio.uniroma1.it/mr-results-casp.html
我们研究了蛋白质结构模型的质量与其作为分子置换搜索模型的实用性之间的关系，分子置换是一种通过X射线晶体学实验确定蛋白质结构的广泛使用的方法。
我们使用提交给蛋白质结构预测技术关键评估的可用模型，以验证在哪些情况下它们可以自动用作分子置换的搜索模板。我们的结果表明，模型质量与其适用于分子置换之间存在相关性，但依赖于模型与用于构建它的模板之间的序列同一性的传统方法对于该过程的成功并无诊断价值。
可在http://cassandra.bio.uniroma1.it/mr-results-casp.html获得更多数据。
