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Charge Equilibration Force Fields for Lipid Environments: Applications to Fully Hydrated DPPC Bilayers and DMPC-Embedded Gramicidin A

Polarizable force fields for lipid and solvent environments are used for molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine (DPPC) bilayer and gramicidin A (gA) dimer embedded in a dimyristoylphosphatidylcholine (DMPC) bilayer. The lipid bilayer is modelled using the C...

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Dettagli Bibliografici
Autori principali: Davis, Joseph E., Patel, Sandeep
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2009
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2746983/
https://ncbi.nlm.nih.gov/pubmed/19526999
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp901088g
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