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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...

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Bibliografiske detaljer
Main Authors: Huang, Jing, Lopes, Pedro E. M., Roux, Benoît, MacKerell, Alexander D.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2014
Online adgang: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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