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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2012
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3320744/ https://www.ncbi.nlm.nih.gov/pubmed/22352995 http://dx.doi.org/10.1021/jp212503e |