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Topologies, structures and parameter files for lipid simulations in GROMACS with the OPLS-aa force field: DPPC, POPC, DOPC, PEPC, and cholesterol

In this data article we provide topologies and force field parameters files for molecular dynamics simulations of lipids in the OPLS-aa force field using the GROMACS package. This is the first systematic parameterization of lipid molecules in this force field. Topologies are provided for four phosph...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:Data Brief
Egile Nagusiak: Kulig, Waldemar, Pasenkiewicz-Gierula, Marta, Róg, Tomasz
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Elsevier 2015
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC4602361/
https://ncbi.nlm.nih.gov/pubmed/26568975
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2015.09.013
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