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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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Autori principali: Lucas, Timothy R., Bauer, Brad A., Davis, Joseph E., Patel, Sandeep
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2011
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Accesso online: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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