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


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
This is a subscription site. You will need to subscribe to Engineering Village 2 to view the details.
Comments: 0