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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...
में बचाया:
| मुख्य लेखकों: | , , , |
|---|---|
| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
American Chemical
Society
2014
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| ऑनलाइन पहुंच: | 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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