Modeling the Alzheimer Aβ(17-42) Fibril Architecture: Tight Intermolecular Sheet-Sheet Association and Intramolecular Hydrated Cavities

We investigate Aβ(17-42) protofibril structures in solution using molecular dynamics simulations. Recently, NMR and computations modeled the Aβ protofibril as a longitudinal stack of U-shaped molecules, creating an in-parallel β-sheet and loop spine. Here we study the molecular architecture of the f...

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Bibliographic Details
Main Authors: Zheng, Jie, Jang, Hyunbum, Ma, Buyong, Tsai, Chung-Jun, Nussinov, Ruth
Format: Artigo
Language:Inglês
Published: The Biophysical Society 2007
Subjects:
Biophysical Theory and Modeling
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2025669/
https://ncbi.nlm.nih.gov/pubmed/17675353
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.107.110700
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