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A molecular dynamics simulation of double-helical B-DNA including counterions and water.

We present the results of an atomic level molecular dynamical simulation of a 5-base-pair fragment of double-helical DNA with inclusion of water and sodium counterions and a complete description of their electrostatic interactions. The shape of the double helix is preserved throughout the simulation...

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Autors principals: Seibel, G L, Singh, U C, Kollman, P A
Format: Artigo
Idioma:Inglês
Publicat: 1985
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC390752/
https://ncbi.nlm.nih.gov/pubmed/3863112
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