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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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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | 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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