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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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| Главные авторы: | , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2014
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| Предметы: | |
| Online-ссылка: | 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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