Nucleic acid reactivity: Challenges for next-generation semiempirical quantum models
نویسندگان
چکیده
منابع مشابه
Nucleic acid reactivity: Challenges for next-generation semiempirical quantum models
Semiempirical quantum models are routinely used to study mechanisms of RNA catalysis and phosphoryl transfer reactions using combined quantum mechanical (QM)/molecular mechanical methods. Herein, we provide a broad assessment of the performance of existing semiempirical quantum models to describe nucleic acid structure and reactivity to quantify their limitations and guide the development of ne...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2015
ISSN: 0192-8651
DOI: 10.1002/jcc.23933