Peptide folding and aggregation studied using a simplified atomic model
Peptide folding and aggregation studied using a simplified atomic model
Engineering Village 2
2006 Elsevier Inc
Accession number: 8484134
Title: Peptide folding and aggregation studied using a simplified atomic model
Authors: Irback, A.1
Author affiliation: 1 Dept. of Theor. Phys., Lund Univ., Sweden
Serial title: Journal of Physics: Condensed Matter
Abbreviated serial title: J. Phys., Condens. Matter. (UK)
Volume: 17
Issue: 18
Publication date: 11 May 2005
Pages: S1553-64
Language: English
ISSN: 0953-8984
CODEN: JCOMEL
Document type: Journal article (JA)
Publisher: IOP Publishing
Country of publication: UK
Material Identity Number: M789-2005-030
Abstract: Using an atomic model with a simplified sequence-based potential, the folding properties of several different peptides are studied. Both a-helical (Trp cage, Fs) and ?-sheet (GB1p, GB1m2, GB1m3, Betanova, LLM) peptides are considered. The model is able to fold these different peptides for one and the same choice of parameters, and the melting behaviour of the peptides (folded population against temperature) is in very good agreement with experimental data. Furthermore, using the same model with unchanged parameters, the aggregation behaviour of a fibril-forming fragment of the Alzheimer's A ? peptide is studied, with very promising results
Number of references: 48
Inspec controlled terms: aggregation - hydrogen bonds - melting - molecular biophysics - molecular configurations - Monte Carlo methods - potential energy functions - probability - proteins
Uncontrolled terms: peptide folding - peptide aggregation - simplified atomic model - simplified sequence-based potential - alpha-helical peptides - beta-sheet peptides - melting behaviour - folded population - fibril-forming fragment - Alzheimer's A? peptide - protein folding - interaction potential - polypeptide chains - Monte Carlo methods - oligomerisation properties - thermodynamic simulations - probability distribution
Inspec classification codes: A8715B Biomolecular structure, configuration, conformation, and active sites - A3620E Macromolecular constitution (chains and sequences) - A0250 Probability theory, stochastic processes, and statistics
Treatment: Theoretical or Mathematical (THR)
Discipline: Physics (A)
DOI: 10.1088/0953-8984/17/18/012
Database: Inspec
Copyright 2005, IEE
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