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Replica exchange molecular dynamics of the thermodynamics of fibril growth of Alzheimer's Aβ(42) peptide
The growth of amyloid fibrils is studied by replica exchange molecular dynamics in an implicit solvent. Our data indicate that extremely long simulation times (at least a few hundred ns) are necessary to study the thermodynamics of fibril elongation in detail. However some aspects of the aggregation...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2011
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3166336/ https://ncbi.nlm.nih.gov/pubmed/21842950 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3617250 |
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