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An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications

[Image: see text] Molecular mechanics force fields that explicitly account for induced polarization represent the next generation of physical models for molecular dynamics simulations. Several methods exist for modeling induced polarization, and here we review the classical Drude oscillator model, i...

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書目詳細資料
發表在:Chem Rev
Main Authors: Lemkul, Justin A., Huang, Jing, Roux, Benoît, MacKerell, Alexander D.
格式: Artigo
語言:Inglês
出版: American Chemical Society 2016
在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC4865892/
https://ncbi.nlm.nih.gov/pubmed/26815602
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.chemrev.5b00505
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