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Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters

We present a refinement of the backbone torsion parameters ε and ζ of the Cornell et al. AMBER force field for DNA simulations. The new parameters, denoted as εζ(OL1), were derived from quantum-mechanical calculations with inclusion of conformation-dependent solvation effects according to the recent...

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Autors principals: Zgarbová, Marie, Luque, F. Javier, Šponer, Jiří, Cheatham, Thomas E., Otyepka, Michal, Jurečka, Petr
Format: Artigo
Idioma:Inglês
Publicat: 2013
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3775469/
https://ncbi.nlm.nih.gov/pubmed/24058302
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400154j
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