Balancing the Interactions of Ions, Water, and DNA in the Drude Polarizable Force Field

[Image: see text] Recently we presented a first-generation all-atom Drude polarizable force field for DNA based on the classical Drude oscillator model, focusing on optimization of key dihedral angles followed by extensive validation of the force field parameters. Presently, we describe the procedur...

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Detalles Bibliográficos
Autores principales: Savelyev, Alexey, MacKerell, Alexander D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4064693/
https://www.ncbi.nlm.nih.gov/pubmed/24874104
http://dx.doi.org/10.1021/jp503469s

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4064693/
https://www.ncbi.nlm.nih.gov/pubmed/24874104
http://dx.doi.org/10.1021/jp503469s

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