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Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids

[Image: see text] An all-atomistic force field (FF) has been developed for fully saturated phospholipids. The parametrization has been largely based on high-level ab initio calculations in order to keep the empirical input to a minimum. Parameters for the lipid chains have been developed based on kn...

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Autori principali: Jämbeck, Joakim P. M., Lyubartsev, Alexander P.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2012
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3320744/
https://ncbi.nlm.nih.gov/pubmed/22352995
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp212503e
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