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Molecular Dynamics Simulations of a DMPC Bilayer Using Nonadditive Interaction Models

We present a polarizable force field based on the charge-equilibration formalism for molecular dynamics simulations of phospholipid bilayers. We discuss refinement of headgroup dihedral potential parameters to reproduce ab initio conformational energies of dimethylphosphate calculated at the MP2/cc-...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Davis, Joseph E., Rahaman, Obaidur, Patel, Sandeep
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: The Biophysical Society 2009
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC2716476/
https://ncbi.nlm.nih.gov/pubmed/19167291
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2008.09.048
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