Quantum chemical studies of nucleic acids: can we construct a bridge to the RNA structural biology and bioinformatics communities?
Quantum chemical studies of nucleic acids: can we construct a bridge to the RNA structural biology and bioinformatics communities?
复制标题
核酸的量子化学研究：我们能否构建通向 RNA 结构生物学和生物信息学界的桥梁？
DOI：
10.1021/jp104361m
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发表时间：
2010
期刊：
影响因子：
--
通讯作者：
Leontis,NeoclesB
中科院分区：
文献类型：
--
作者：
Šponer,Jiří;Šponer,JuditE;Petrov,AntonI;Leontis,NeoclesB
In this feature article, we provide a side-by-side introduction for two research fields: quantum chemical calculations of molecular interaction in nucleic acids and RNA structural bioinformatics. Our main aim is to demonstrate that these research areas, while largely separated in contemporary literature, have substantial potential to complement each other that could significantly contribute to our understanding of the exciting world of nucleic acids. We identify research questions amenable to the combined application of modern ab initio methods and bioinformatics analysis of experimental structures while also assessing the limitations of these approaches. The ultimate aim is to attain valuable physicochemical insights regarding the nature of the fundamental molecular interactions and how they shape RNA structures, dynamics, function, and evolution.
