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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2018
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| 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 |