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Binding energies and the entry route of palmitic acid and palmitoylcarnitine into myoglobin

The interaction of lipids (entry mechanism) with respect to both oxy- and deoxy-myoglobin was explored using unrestrained Molecular Dynamics simulations. The results indicated a spontaneous entry of both palmitic and palmitoylcarnitine molecules into the oxy-Mb structure at the main binding site, wh...

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Detalles Bibliográficos
Autores principales: Chintapalli, Sree V., Anishkin, Andriy, Adams, Sean H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6231043/
https://www.ncbi.nlm.nih.gov/pubmed/30456221
http://dx.doi.org/10.1016/j.dib.2018.10.118