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Effects of chain length on the aggregation of model polyglutamine peptides: Molecular dynamics simulations by Alexander J. Marchut; Carol K. Hall is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

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## Abstract Aggregation in the brain of polyglutamine‐containing proteins is either a cause or an associated symptom of nine hereditary neurodegenerative disorders including Huntington's disease. The molecular level mechanisms by which these proteins aggregate are still unclear. In an effort to shed light on this important phenomenon, we are investigating the aggregation of model polyglutamine peptides using molecular‐level computer simulation with a simplified model of polyglutamine that we have developed. This model accounts for the most important types of intra‐ and inter‐molecular interactions—hydrogen bonding and hydrophobic interactions—while allowing the folding process to be simulated in a reasonable time frame. The model is used to examine the folding of isolated polyglutamine peptides 16, 32, and 48 residues long and the folding and aggregation of systems of 24 model polyglutamine peptides 16, 24, 32, 36, 40, and 48 residues long. Although the isolated polyglutamine peptides did form some α and β backbone–backbone hydrogen bonds they did not have as many of these bonds as they would have if they had folded into a complete α helix or β sheet. In one of the simulations on t

Who reads Effects of chain length on the aggregation of model polyglutamine peptides: Molecular dynamics simulations?

Author

Alexander J. Marchut; Carol K. Hall

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); Wiley-Liss Inc; Wiley (ISSN 0887-3585)

Published

2006

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Life Sciences)