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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/molecular mechanical methods. Herein, we provide a broad assessment of the performance of existing semiempirical quantum models to describe nucleic...
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| Gepubliceerd in: | J Comput Chem |
|---|---|
| Hoofdauteurs: | , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2015
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4760688/ https://ncbi.nlm.nih.gov/pubmed/25943338 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23933 |
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