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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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Bibliografische gegevens
Hoofdauteurs: Chang, Wenling E., Takeda, Takako, Raman, E. Prabhu, Klimov, Dmitri K.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: The Biophysical Society 2010
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Online toegang: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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