Atomic accuracy in predicting and designing noncanonical RNA structure.

Atomic accuracy in predicting and designing noncanonical RNA structure.
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DOI:
10.1038/nmeth.1433
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发表时间:
2010-04
期刊:
影响因子:
48
通讯作者:
Baker, David
Baker, David
中科院分区:
生物学1区
文献类型:
--
作者:
Das, Rhiju;Karanicolas, John;Baker, David

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我们提出了一个Rosetta全原子框架,用于预测和设计定义RNA三级结构的非规范基序,称为FARFAR(Fragment Assembly of RNA with Full Atom Refinement)。对于32个6至20个核苷酸基序的测试集,该方法以近原子的精度概括了50%的实验结构。此外,设计计算在参与非典型相互作用的大多数RNA残基处恢复了天然序列,并且预测稳定信号识别颗粒结构域的突变得到了实验验证。
We present a Rosetta full-atom framework for predicting and designing the non-canonical motifs that define RNA tertiary structure, called FARFAR (Fragment Assembly of RNA with Full Atom Refinement). For a test set of thirty-two 6-to-20-nucleotide motifs, the method recapitulated 50% of the experimental structures at near-atomic accuracy. Additionally, design calculations recovered the native sequence at the majority of RNA residues engaged in non-canonical interactions, and mutations predicted to stabilize a signal recognition particle domain were experimentally validated.
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