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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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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Chem Rev
Prif Awduron: Lemkul, Justin A., Huang, Jing, Roux, Benoît, MacKerell, Alexander D.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: American Chemical Society 2016
Mynediad Ar-lein: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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