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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Detalles Bibliográficos
Autores principales: Yildirim, Ilyas, Kennedy, Scott D., Stern, Harry A., Hart, James M., Kierzek, Ryszard, Turner, Douglas H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2011
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254190/
https://www.ncbi.nlm.nih.gov/pubmed/22249447
http://dx.doi.org/10.1021/ct200557r

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254190/
https://www.ncbi.nlm.nih.gov/pubmed/22249447
http://dx.doi.org/10.1021/ct200557r

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