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首页> 外文期刊>Acta crystallographica. Section D, Biological crystallography. >The JCSG MR pipeline: optimized alignments, multiple models and parallel searches
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The JCSG MR pipeline: optimized alignments, multiple models and parallel searches

机译：JCSG管道先生:优化排列,多个模型和并行搜索

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摘要

The success rate of molecular replacement (MR) falls considerably when search models share less than 35% sequence identity with their templates, but can be improved significantly by using fold-recognition methods combined with exhaustive MR searches. Models based on alignments calculated with fold-recognition algorithms are more accurate than models based on conventional alignment methods such as FASTA or BLAST, which are still widely used for MR. In addition, by designing MR pipelines that integrate phasing and automated refinement and allow parallel processing of such calculations, one can effectively increase the success rate of MR. Here, updated results from the JCSG MR pipeline are presented, which to date has solved 33 MR structures with less than 35% sequence identity to the closest homologue of known structure.
机译：分子置换的成功率(先生)大幅下跌时搜索模式份额更少35%以上序列的身份与他们的模板,但可以明显改善使用fold-recognition结合详尽的方法先生搜索。与fold-recognition算法计算更精确的比基于传统模型对齐方法如FASTA或爆炸,仍广泛用于此外,先生管道,逐步整合和先生设计自动细化并允许并行处理这样的计算,一个人可以有效提高成功率。这里,先生从JCSG管道更新结果先生介绍,迄今为止解决33吗结构与序列的身份不到35%最近的同系物的结构。

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