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Computing folding pathways between RNA secondary structures.

机译:计算RNA二级结构之间的折叠途径。

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Given an RNA sequence and two designated secondary structures A, B, we describe a new algorithm that computes a nearly optimal folding pathway from A to B. The algorithm, RNATABUPATH, employs a TABU semi-greedy heuristic, known to be an effective search strategy in combinatorial optimization. Folding pathways, sometimes called routes or trajectories, are computed by RNATABUPATH in a fraction of the time required by the BARRIERS program of Vienna RNA Package. We benchmark RNATABUPATH with other algorithms to compute low energy folding pathways between experimentally known structures of several conformational switches. The RNAPATHFINDER web server, source code for algorithms to compute and analyze pathways and supplementary data are available at http://bioinformatics.bc.edu/clotelab/RNApathfinder.
机译:给定一个RNA序列和两个指定的二级结构A,B,我们描述了一种新算法,该算法计算从A到B的最佳折叠路径。RNATABUPATH算法采用了TABU半贪婪启发式算法,这是一种有效的搜索策略在组合优化中。折叠路径有时也称为路线或轨迹,是由RNATABUPATH计算的,所需时间仅是Vienna RNA Package的BARRIERS程序所需时间的一小部分。我们使用其他算法对RNA BUBUPATH进行基准测试,以计算几个构象开关的实验已知结构之间的低能折叠路径。 http://bioinformatics.bc.edu/clotelab/RNApathfinder上提供了RNAPATHFINDER Web服务器,用于计算和分析途径的算法的源代码以及补充数据。

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