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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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Publicat a:Chem Rev
Autors principals: Lemkul, Justin A., Huang, Jing, Roux, Benoît, MacKerell, Alexander D.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2016
Accés en línia: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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