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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Detalles Bibliográficos
Autores principales: Lemkul, Justin A., Huang, Jing, Roux, Benoît, MacKerell, Alexander D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4865892/
https://www.ncbi.nlm.nih.gov/pubmed/26815602
http://dx.doi.org/10.1021/acs.chemrev.5b00505

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4865892/
https://www.ncbi.nlm.nih.gov/pubmed/26815602
http://dx.doi.org/10.1021/acs.chemrev.5b00505

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