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Energy Landscape of Amyloidogenic Peptide Oligomerization by Parallel-Tempering Molecular Dynamics Simulation: Significant Role of Asn Ladder

Recent evidence suggests that amyloidogenic oligomers may be the toxic species in cell cultures. Thus, it is crucial to understand their structure and oligomerization mechanism in atomistic detail. By employing tens of fast central processing units and an advanced phase-space sampling algorithm,... Full description

1st Person: Tsai, (Gavin)
Additional Persons: Reches, Meital; Tsai, Chung-Jung; Gunasekaran, Kannan; Gazit, Ehud; Nussinov, Ruth; Levitt, Michael
Source: in Proceedings of the National Academy of Sciences of the United States of America Vol. 102, No. 23 (2005), p. 8174-8179
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Type of Publication: Article
Language: English
Published: 2005
Keywords: Amyloid oligomerization
Bottleneck channel
β-helix
Human calcitonin
Mutagenesis
Online: Volltext
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