Clote Peter, Kranakis Evangelos, Krizanc Danny
Biology Department, Boston College, Chestnut Hill, MA, 02467, USA.
Algorithms Mol Biol. 2013 Oct 25;8(1):24. doi: 10.1186/1748-7188-8-24.
RNA folding depends on the distribution of kinetic traps in the landscape of all secondary structures. Kinetic traps in the Nussinov energy model are precisely those secondary structures that are saturated, meaning that no base pair can be added without introducing either a pseudoknot or base triple. In previous work, we investigated asymptotic combinatorics of both random saturated structures and of quasi-random saturated structures, where the latter are constructed by a natural stochastic process.
We prove that for quasi-random saturated structures with the uniform distribution, the asymptotic expected number of external loops is O(logn) and the asymptotic expected maximum stem length is O(logn), while under the Zipf distribution, the asymptotic expected number of external loops is O(log2n) and the asymptotic expected maximum stem length is O(logn/log logn).
Quasi-random saturated structures are generated by a stochastic greedy method, which is simple to implement. Structural features of random saturated structures appear to resemble those of quasi-random saturated structures, and the latter appear to constitute a class for which both the generation of sampled structures as well as a combinatorial investigation of structural features may be simpler to undertake.
RNA折叠取决于所有二级结构格局中动力学陷阱的分布。在努西诺夫能量模型中,动力学陷阱恰好是那些饱和的二级结构,也就是说,在不引入假结或碱基三联体的情况下,不能添加任何碱基对。在之前的工作中,我们研究了随机饱和结构和准随机饱和结构的渐近组合学,其中后者是通过一个自然随机过程构建的。
我们证明,对于具有均匀分布的准随机饱和结构,外部环的渐近期望数量为O(logn),渐近期望最大茎长度为O(logn);而在齐普夫分布下,外部环的渐近期望数量为O(log2n),渐近期望最大茎长度为O(logn/log logn)。
准随机饱和结构由一种易于实现的随机贪婪方法生成。随机饱和结构的结构特征似乎与准随机饱和结构相似,并且后者似乎构成了一类结构,对于这类结构,采样结构的生成以及结构特征的组合研究可能都更容易进行。