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Polarizable Multipole-Based Force Field for Aromatic Molecules and Nucleobases
[Image: see text] Aromatic molecules with π electrons are commonly involved in chemical and biological recognitions. For example, nucleobases play central roles in DNA/RNA structure and their interactions with proteins. The delocalization of the π electrons is responsible for the high polarizability...
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| Опубликовано в: : | J Chem Theory Comput |
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| Главные авторы: | , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
American
Chemical Society
2016
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| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5312700/ https://ncbi.nlm.nih.gov/pubmed/28030769 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00918 |
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