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Molecular Dynamics Simulations of Ibuprofen Binding to Aβ Peptides
Using replica exchange molecular dynamics simulations and the implicit solvent model we probed binding of ibuprofen to Aβ(10–40) monomers and amyloid fibrils. We found that the concave (CV) fibril edge has significantly higher binding affinity for ibuprofen than the convex edge. Furthermore, binding...
Tallennettuna:
| Päätekijät: | , , |
|---|---|
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
The Biophysical Society
2009
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2756381/ https://ncbi.nlm.nih.gov/pubmed/19804739 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2009.07.032 |
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