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Polarizable Force Field for DNA Based on the Classical Drude Oscillator: II. Microsecond Molecular Dynamics Simulations of Duplex DNA

The structure and dynamics of DNA are governed by a sensitive balance between base stacking and pairing, hydration, and interactions with ions. Force field models that include explicit representations of electronic polarization are capable of more accurately modeling the subtle details of these inte...

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Detalles Bibliográficos
Publicado en:J Chem Theory Comput
Main Authors: Lemkul, Justin A., MacKerell, Alexander D.
Formato: Artigo
Idioma:Inglês
Publicado: 2017
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC5485260/
https://ncbi.nlm.nih.gov/pubmed/28398748
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00068
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