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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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Bibliografiske detaljer
Udgivet i:J Chem Theory Comput
Main Authors: Lemkul, Justin A., MacKerell, Alexander D.
Format: Artigo
Sprog:Inglês
Udgivet: 2017
Fag:
Online adgang: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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