Data including GROMACS input files for atomistic molecular dynamics simulations of mixed, asymmetric bilayers including molecular topologies, equilibrated structures, and force field for lipids compatible with OPLS-AA parameters

In this Data in Brief article we provide a data package of GROMACS input files for atomistic molecular dynamics simulations of multicomponent, asymmetric lipid bilayers using the OPLS-AA force field. These data include 14 model bilayers composed of 8 different lipid molecules. The lipids present in...

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Detalles Bibliográficos
Autores principales: Róg, Tomasz, Orłowski, Adam, Llorente, Alicia, Skotland, Tore, Sylvänne, Tuulia, Kauhanen, Dimple, Ekroos, Kim, Sandvig, Kirsten, Vattulainen, Ilpo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2016
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5063793/
https://www.ncbi.nlm.nih.gov/pubmed/27761499
http://dx.doi.org/10.1016/j.dib.2016.03.067

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