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Matching of additive and polarizable force fields for multiscale condensed phase simulations
Inclusion of electronic polarization effects is one of the key aspects in which the accuracy of current biomolecular force fields may be improved. The principal drawback of such approaches is the computational cost, which typically ranges from 3 – 10 times that of the equivalent additive model, and...
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| Главные авторы: | , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2013
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3752912/ https://ncbi.nlm.nih.gov/pubmed/23997691 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400116g |
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