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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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Bibliografische gegevens
Gepubliceerd in:J Chem Theory Comput
Hoofdauteurs: Lemkul, Justin A., MacKerell, Alexander D.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2017
Onderwerpen:
Online toegang: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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