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Molecular Dynamics Simulation of Hydrated DPPC Monolayers Using Charge Equilibration Force Fields
We present results of molecular dynamics simulations of a model DPPC-water monolayer using charge equilibration (CHEQ) force fields which explicitly account for electronic polarization in a classical treatment of intermolecular interactions. The surface pressure, determined as the difference between...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3488352/ https://ncbi.nlm.nih.gov/pubmed/21997857 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21927 |
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