Data for molecular dynamic simulations in the OPLSAA force field: Partial charges of cholesterol, C7-hydroxycholesterol and C7-hydroperoxycholesterol, torsional parameters for the hydroperoxy group of C7-hydroperoxycholesterol

This data article contains partial charges generated for cholesterol, C7-hydroxycholesterol and C7-hydroperoxycholesterol and torsional parameters for hydroperoxy of C7-hydroperoxycholesterol for molecular dynamics simulations in the OPLSAA force field [1] using the package Gromacs [2]. The hydroper...

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Detalles Bibliográficos
Autores principales: Markiewicz, Michal, Szczelina, Robert, Pasenkiewicz-Gierula, Marta
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8528686/
https://www.ncbi.nlm.nih.gov/pubmed/34712759
http://dx.doi.org/10.1016/j.dib.2021.107483

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8528686/
https://www.ncbi.nlm.nih.gov/pubmed/34712759
http://dx.doi.org/10.1016/j.dib.2021.107483

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