Development of a group contribution method for estimating free energy of peptides in a dodecane-water system via molecular dynamic simulations

BACKGROUND: Calculation of the Gibbs free energy changes of biological molecules at the oil-water interface is commonly performed with Molecular Dynamics simulations (MD). It is a process that could be performed repeatedly in order to find some molecules of high stability in this medium. Here, an al...

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Detalles Bibliográficos
Autores principales: Mora Osorio, Camilo Andrés, González Barrios, Andrés Fernando
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2016
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5142407/
https://www.ncbi.nlm.nih.gov/pubmed/27927167
http://dx.doi.org/10.1186/s12859-016-1399-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5142407/
https://www.ncbi.nlm.nih.gov/pubmed/27927167
http://dx.doi.org/10.1186/s12859-016-1399-5

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