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- W2002348945 endingPage "e24329" @default.
- W2002348945 startingPage "e24329" @default.
- W2002348945 abstract "The propensity of amyloid-β (Aβ) peptide to self-assemble into highly ordered amyloid structures lies at the core of their accumulation in the brain during Alzheimer's disease. By using all-atom explicit solvent replica exchange molecular dynamics simulations, we elucidated at the atomic level the intrinsic determinants of the pH-dependent dimerization of the central hydrophobic segment Aβ(12-24) and related these with the propensity to form amyloid fibrils measured by experimental tools such as atomic force microscopy and fluorescence. The process of Aβ(12-24) dimerization was evaluated in terms of free energy landscape, side-chain two-dimensional contact probability maps, β-sheet registries, potential mean force as a function of inter-chain distances, secondary structure development and radial solvation distributions. We showed that dimerization is a key event in Aβ(12-24) amyloid formation; it is highly prompted in the order of pH 5.0>2.9>>8.4 and determines further amyloid growth. The dimerization is governed by a dynamic interplay of hydrophobic, electrostatic and solvation interactions permitting some variability of β-sheets at each pH. These results provide atomistic insight into the complex process of molecular recognition detrimental for amyloid growth and pave the way for better understanding of the molecular basis of amyloid diseases." @default.
- W2002348945 created "2016-06-24" @default.
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- W2002348945 date "2011-09-21" @default.
- W2002348945 modified "2023-09-25" @default.
- W2002348945 title "Intrinsic Determinants of Aβ12–24 pH-Dependent Self-Assembly Revealed by Combined Computational and Experimental Studies" @default.
- W2002348945 cites W131054948 @default.
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- W2002348945 cites W1968280815 @default.
- W2002348945 cites W1968906927 @default.
- W2002348945 cites W1970900907 @default.
- W2002348945 cites W1972535964 @default.
- W2002348945 cites W1972798923 @default.
- W2002348945 cites W1973522550 @default.
- W2002348945 cites W1975445752 @default.
- W2002348945 cites W1980187344 @default.
- W2002348945 cites W1981021420 @default.
- W2002348945 cites W1982635793 @default.
- W2002348945 cites W1984964811 @default.
- W2002348945 cites W1986139836 @default.
- W2002348945 cites W1991210194 @default.
- W2002348945 cites W1993262901 @default.
- W2002348945 cites W2004098528 @default.
- W2002348945 cites W2007158408 @default.
- W2002348945 cites W2008708467 @default.
- W2002348945 cites W2010511290 @default.
- W2002348945 cites W2011056613 @default.
- W2002348945 cites W2011321788 @default.
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- W2002348945 cites W2032363535 @default.
- W2002348945 cites W2033847972 @default.
- W2002348945 cites W2035266068 @default.
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- W2002348945 cites W2040863516 @default.
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- W2002348945 cites W2044341612 @default.
- W2002348945 cites W2048255400 @default.
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- W2002348945 cites W2051651977 @default.
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- W2002348945 cites W2054847479 @default.
- W2002348945 cites W2056544504 @default.
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- W2002348945 cites W2071174047 @default.
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- W2002348945 cites W2088463995 @default.
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- W2002348945 doi "https://doi.org/10.1371/journal.pone.0024329" @default.
- W2002348945 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3177821" @default.
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