Biophysics Unit (CSIC-UPV/EHU), University of the Basque Country, Bilbao, Spain.
Bioinformatics. 2010 Aug 15;26(16):2060-1. doi: 10.1093/bioinformatics/btq328. Epub 2010 Jun 18.
Macromolecular assembly coordinates essential cellular processes, such as gene regulation and signal transduction. A major challenge for conventional computational methods to study these processes is tackling the exponential increase of the number of configurational states with the number of components. CplexA is a Mathematica package that uses functional programming to efficiently compute probabilities and average properties over such exponentially large number of states from the energetics of the interactions. The package is particularly suited to study gene expression at complex promoters controlled by multiple, local and distal, DNA binding sites for transcription factors.
CplexA is freely available together with documentation at http://sourceforge.net/projects/cplexa/.
大分子组装协调着重要的细胞过程,如基因调控和信号转导。传统的计算方法在研究这些过程时面临着一个主要挑战,即如何应对随着组件数量的增加而呈指数级增长的构象状态数量。CplexA 是一个使用函数式编程的 Mathematica 软件包,可有效地从相互作用的能量中计算出如此大量的状态的概率和平均值。该软件包特别适合研究由多个局部和远程 DNA 转录因子结合位点控制的复杂启动子上的基因表达。
CplexA 可在 http://sourceforge.net/projects/cplexa/ 上免费获得,并附有文档。