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Molecular Simulations of RNA 2’-O-Transesterification Reaction Models in Solution
We employ quantum mechanical/molecular mechanical umbrella sampling simulations to probe the free energy surfaces of a series of increasingly complex reaction models of RNA 2’-O-transesterification in aqueous solution under alkaline conditions. Such models are valuable for understanding the uncataly...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3574632/ https://ncbi.nlm.nih.gov/pubmed/23214417 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp3084277 |
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