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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)...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Yildirim, Ilyas, Kennedy, Scott D., Stern, Harry A., Hart, James M., Kierzek, Ryszard, Turner, Douglas H.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Chemical Society 2011
Sarrera elektronikoa: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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