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How accurate are your simulations? Effects of confined aqueous volume and AMBER FF99SB and CHARMM22/CMAP force field parameters on structural ensembles of intrinsically disordered proteins: Amyloid-β(42) in water
Amyloid-β(42) (Aβ(42)) is an intrinsically disordered peptide intimately related to the pathogenesis of several neurodegenerative diseases. Molecular dynamics (MD) simulations are extensively utilized in the characterization of the structures and conformational dynamics of intrinsically disordered p...
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| Publicado no: | Intrinsically Disord Proteins |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Taylor & Francis
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6149486/ https://ncbi.nlm.nih.gov/pubmed/30250773 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/21690707.2017.1377813 |
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