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bpRNA: large-scale automated annotation and analysis of RNA secondary structure

机译:BPRNA:大规模自动化注释和RNA二级结构分析

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While RNA secondary structure prediction from sequence data has made remarkable progress, there is a need for improved strategies for annotating the features of RNA secondary structures. Here, we present bpRNA, a novel annotation tool capable of parsing RNA structures, including complex pseudoknot-containing RNAs, to yield an objective, precise, compact, unambiguous, easily-interpretable description of all loops, stems, and pseudoknots, along with the positions, sequence, and flanking base pairs of each such structural feature. We also introduce several new informative representations of RNA structure types to improve structure visualization and interpretation. We have further used bpRNA to generate a web-accessible meta-database, 'bpRNA-1m', of over 100 000 single-molecule, known secondary structures; this is both more fully and accurately annotated and over 20-times larger than existing databases. We use a subset of the database with highly similar (&= 90% identical) sequences filtered out to report on statistical trends in sequence, flanking base pairs, and length. Both the bpRNA method and the bpRNA-1m database will be valuable resources both for specific analysis of individual RNA molecules and large-scale analyses such as are useful for updating RNA energy parameters for computational thermodynamic predictions, improving machine learning models for structure prediction, and for benchmarking structure-prediction algorithms.
机译:虽然来自序列数据的RNA二次结构预测已经取得了显着的进展,但需要改进用于注释RNA二级结构的特征的策略。在这里,我们呈现BPRNA,一种新的注释工具,其能够解析RNA结构,包括含有复杂的伪发的RNA,以产生对所有环,茎和伪通知的物镜,精确,紧凑,明确,容易解释的描述每个这样的结构特征的位置,序列和侧翼基对。我们还介绍了RNA结构类型的几种新信息表现,以改善结构可视化和解释。我们进一步使用BPRA生成网络可访问的元数据库,“BPRNA-1M”,超过100000分子,已知的二次结构;这既可以完全准确地注释,比现有数据库大超过20倍。我们使用具有高度相似(& = 90%相同)序列的数据库子集过滤出序列,侧翼基对和长度的统计趋势报告。 BPRNA方法和BPRNA-1M数据库都是有价值的资源,用于对单个RNA分子的特定分析和大规模分析,例如用于更新计算热力学预测的RNA能量参数,改善结构预测的机器学习模型,以及用于基准测试结构预测算法。

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