Ab initiopath-integral calculations of kinetic and equilibrium isotope effects on base-catalyzed RNA transphosphorylation models

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Ab initio path-integral calculations of kinetic and equilibrium isotope effects on base-catalyzed RNA transphosphorylation models

Detailed understandings of the reaction mechanisms of RNA catalysis in various environments can have profound importance for many applications, ranging from the design of new biotechnologies to the unraveling of the evolutionary origin of life. An integral step in the nucleolytic RNA catalysis is self-cleavage of RNA strands by 2'-O-transphosphorylation. Key to elucidating a reaction mechanism ...

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ژورنال

عنوان ژورنال: Journal of Computational Chemistry

سال: 2014

ISSN: 0192-8651

DOI: 10.1002/jcc.23628