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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:Intrinsically Disord Proteins
Egile Nagusiak: Weber, Orkid Coskuner, Uversky, Vladimir N.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Taylor & Francis 2017
Gaiak:
Sarrera elektronikoa: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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