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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Detalles Bibliográficos
Autores principales: Huang, Jing, Lopes, Pedro E. M., Roux, Benoît, MacKerell, Alexander D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4167036/
https://www.ncbi.nlm.nih.gov/pubmed/25247054
http://dx.doi.org/10.1021/jz501315h

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4167036/
https://www.ncbi.nlm.nih.gov/pubmed/25247054
http://dx.doi.org/10.1021/jz501315h

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