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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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| Veröffentlicht in: | Data Brief |
|---|---|
| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Elsevier
2018
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6231043/ https://ncbi.nlm.nih.gov/pubmed/30456221 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2018.10.118 |
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