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Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model

[Image: see text] In this Perspective, we summarize recent efforts to include the explicit treatment of induced electronic polarization in biomolecular force fields. Methods used to treat polarizability, including the induced dipole, fluctuating charge, and classical Drude oscillator models, are pre...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Huang, Jing, Lopes, Pedro E. M., Roux, Benoît, MacKerell, Alexander D.
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2014
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4167036/
https://ncbi.nlm.nih.gov/pubmed/25247054
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jz501315h
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