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All-Atom Polarizable Force Field for DNA Based on the Classical Drude Oscillator Model

Presented is a first generation atomistic force field for DNA in which electronic polarization is modeled based on the classical Drude oscillator formalism. The DNA model is based on parameters for small molecules representative of nucleic acids, including alkanes, ethers, dimethylphosphate, and the...

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Détails bibliographiques
Auteurs principaux: Savelyev, Alexey, MacKerell, Alexander D.
Format: Artigo
Langue:Inglês
Publié: 2014
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC4075971/
https://ncbi.nlm.nih.gov/pubmed/24752978
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23611
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