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Molecular Dynamics Simulations of Anti-Aggregation Effect of Ibuprofen
Using implicit solvent molecular dynamics and replica exchange simulations, we study the impact of ibuprofen on the growth of wild-type Aβ fibrils. We show that binding of ibuprofen to Aβ destabilizes the interactions between incoming peptides and the fibril. As a result, ibuprofen interference modi...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2877328/ https://ncbi.nlm.nih.gov/pubmed/20513411 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.02.031 |
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