Dynamics in Sequence Space for RNA Secondary Structure Design

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• 作者：Marco C. Matthies ; Stefan Bienert ; Andrew E. Torda
• 刊名：Journal of Chemical Theory and Computation
• 出版年：2012
• 出版时间：October 9, 2012
• 年：2012
• 卷：8
• 期：10
• 页码：3663-3670
• 全文大小：376K
• 年卷期：v.8,no.10(October 9, 2012)
• ISSN：1549-9626

文摘

We have implemented a method for the design of RNA sequences that should fold to arbitrary secondary structures. A popular energy model allows one to take the derivative with respect to composition, which can then be interpreted as a force and used for Newtonian dynamics in sequence space. Combined with a negative design term, one can rapidly sample sequences which are compatible with a desired secondary structure via simulated annealing. Results for 360 structures were compared with those from another nucleic acid design program using measures such as the probability of the target structure and an ensemble-weighted distance to the target structure.