Swenson M Shel, Anderson Joshua, Ash Andrew, Gaurav Prashant, Sükösd Zsuzsanna, Bader David A, Harvey Stephen C, Heitsch Christine E
School of Mathematics, Georgia Institute of Technology, Atlanta, GA, USA.
BMC Res Notes. 2012 Jul 2;5:341. doi: 10.1186/1756-0500-5-341.
Accurate and efficient RNA secondary structure prediction remains an important open problem in computational molecular biology. Historically, advances in computing technology have enabled faster and more accurate RNA secondary structure predictions. Previous parallelized prediction programs achieved significant improvements in runtime, but their implementations were not portable from niche high-performance computers or easily accessible to most RNA researchers. With the increasing prevalence of multi-core desktop machines, a new parallel prediction program is needed to take full advantage of today's computing technology.
We present here the first implementation of RNA secondary structure prediction by thermodynamic optimization for modern multi-core computers. We show that GTfold predicts secondary structure in less time than UNAfold and RNAfold, without sacrificing accuracy, on machines with four or more cores.
GTfold supports advances in RNA structural biology by reducing the timescales for secondary structure prediction. The difference will be particularly valuable to researchers working with lengthy RNA sequences, such as RNA viral genomes.
准确且高效的RNA二级结构预测仍是计算分子生物学中一个重要的开放性问题。从历史上看,计算技术的进步使得RNA二级结构预测能够更快、更准确。先前的并行预测程序在运行时取得了显著改进,但其实现无法从特定的高性能计算机移植,也不易被大多数RNA研究人员使用。随着多核台式机的日益普及,需要一个新的并行预测程序来充分利用当今的计算技术。
我们在此展示了首个针对现代多核计算机通过热力学优化进行RNA二级结构预测的实现。我们表明,在具有四个或更多核心的机器上,GTfold预测二级结构的时间比UNAfold和RNAfold短,且不牺牲准确性。
GTfold通过缩短二级结构预测的时间尺度,支持了RNA结构生物学的进展。这一差异对于处理长RNA序列(如RNA病毒基因组)的研究人员尤为有价值。