biostudies-literatureMiller YIntramural NIH HHSNCI NIH HHS1168-77https://www.ebi.ac.uk/biostudies/studies/S-EPMC2726324biostudies-literatureUnknown97(4)Abeta(17-42) (so-called p3) amyloid is detected in vivo in the brains of individuals with Alzheimer's disease or Down's syndrome. We investigated the polymorphism of Abeta(17-42) oligomers based on experimental data from steady-state NMR measurements, electron microscopy, two-dimensional hydrogen exchange, and mutational studies, using all-atom molecular-dynamics simulation with explicit solvent. We assessed the structural stability and the populations. Our results suggest that conformational differences in the U-turn of Abeta(17-42) lead to polymorphism in beta-sheet registration and retention of an ordered beta-strand organization at the termini. Further, although the parallel Abeta(17-42) oligomer organization is the most stable of the conformers investigated here, different antiparalleBiophysical journalPolymorphism of Alzheimer's Abeta17-42 (p3) oligomers: the importance of the turn location and its conformation.PMC2726324N01-CO-12400N01 CO012400Ma BMiller YNussinov RfalsePolymorphism of Alzheimer's Abeta17-42 (p3) oligomers: the importance of the turn location and its conformation.Abeta(17-42) (so-called p3) amyloid is detected in vivo in the brains of individuals with Alzheimer's disease or Down's syndrome. We investigated the polymorphism of Abeta(17-42) oligomers based on experimental data from steady-state NMR measurements, electron microscopy, two-dimensional hydrogen exchange, and mutational studies, using all-atom molecular-dynamics simulation with explicit solvent. We assessed the structural stability and the populations. Our results suggest that conformational differences in the U-turn of Abeta(17-42) lead to polymorphism in beta-sheet registration and retention of an ordered beta-strand organization at the termini. Further, although the parallel Abeta(17-42) oligomer organization is the most stable of the conformers investigated here, different antiparalle2009-01-01T00:00:00Z2009 Aug2026-05-02T23:05:51.049Z2026-04-07T18:36:34.507ZS-EPMC27263241968666510.1016/j.bpj.2009.05.042