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The Importance of Hydrogen Bonding between the Glutamine Side Chains to the Formation of Amyloid VOIVYK Parallel β-Sheets: An ONIOM DFT/AM1 Study.

The article presents an analysis on hydrogen bonding among glutamine side chains which forms the amyloid parallel β-sheets fibrils from the six amino acid sequences, VQIVYK. It states that calculations of molecular orbital (MO) with the GAUSSIAN 03 and GAUSSIAN 09 computer programs were made using o...

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Published in:Journal of the American Chemical Society Vol. 132; no. 6; pp. 1758 - 1760
Main Authors: Plumley, Joshua A., Dannenberg, J. J.
Format: Article
Published: American Chemical Society 2/17/2010
Subjects:
Hydrogen bonding
Amyloid beta-protein
Glutamine
Amino acid sequence
Computer software
Molecular orbitals
Gaussian measures
Online Access:View this record in EBSCOhost
Summary:The article presents an analysis on hydrogen bonding among glutamine side chains which forms the amyloid parallel β-sheets fibrils from the six amino acid sequences, VQIVYK. It states that calculations of molecular orbital (MO) with the GAUSSIAN 03 and GAUSSIAN 09 computer programs were made using our own n-layered Integrated molecular orbital + molecular mechanics (ONIOM) method with MO and Austin Model 1 (AM1) methods. It concludes that H-bonds contribute to the formation of amyloid.