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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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| Autori principali: | , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Chemical
Society
2014
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| Accesso online: | 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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