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- Urbanc, Brigita, et al. Show all 2 Author
- Journal of Molecular Biology 2013 v.425 pp. 2260-2275
- Alzheimer disease; amino acids; amyloid; hydrophobicity; molecular dynamics; peptides; toxicity
- ... In Alzheimer's disease (AD), amyloid β-protein (Aβ) self-assembles into toxic oligomers. Of the two predominant Aβ alloforms, Aβ1–40 and Aβ1–42, the latter is particularly strongly linked to AD. N-terminally truncated and pyroglutamated Aβ peptides were recently shown to seed Aβ aggregation and contribute significantly to Aβ-mediated toxicity, yet their folding and assembly were not explored compu ...
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- Urbanc, Brigita, et al. Show all 4 Authors
- The Journal of physical chemistry 2015 v.119 no.42 pp. 13237-13251
- amino acids; hydrogen bonding; molecular dynamics; peptides; population growth; solvents; surface area
- ... Amino acid residues of unfolded peptides in water sample only a few basins in the Ramachandran plot, including prominent polyproline II-like (pPII) conformations. Dynamics of guest residues, X, in GXG peptides in water were recently reported to be dominated by pPII and β-strand-like (β) conformations, resulting in an enthalpy–entropy compensation at ∼300 K. Using molecular dynamics (MD) in explici ...