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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Chem Theory Comput
Prif Awduron: Lemkul, Justin A., MacKerell, Alexander D.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2017
Pynciau:
Mynediad Ar-lein: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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