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A Polarizable Force Field of Dipalmitoylphosphatidylcholine based on the Classical Drude Model for Molecular Dynamics Simulations of Lipids
A polarizable force field of saturated phosphatidylcholine-containing lipids based on the classical Drude oscillator model is optimized and used in molecular dynamics simulations of bilayer and monolayer membranes. The hierarchical parameterization strategy involves the optimization of parameters fo...
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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3799809/ https://ncbi.nlm.nih.gov/pubmed/23841725 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp402860e |
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