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Revision of AMBER Torsional Parameters for RNA Improves Free Energy Predictions for Tetramer Duplexes with GC and iGiC Base Pairs
All-atom force fields are important for predicting thermodynamic, structural, and dynamic properties of RNA. In this paper, results are reported for thermodynamic integration calculations of free energy differences of duplex formation when CG pairs in the RNA duplexes r(CCGG)(2), r(GGCC)(2), r(GCGC)...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2011
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3254190/ https://ncbi.nlm.nih.gov/pubmed/22249447 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200557r |
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