Study of the aggregation mechanism of polyglutamine peptides using replica exchange molecular dynamics simulations

Journal of Molecular Modeling

Volumn 19, Issue 4, 2013, Pages 1627-1639

  Nakano, Miki ^a   Ebina, Kuniyoshi ^a   Tanaka, Shigenori ^a  

^a KOBE UNIVERSITY   (Japan)

Author keywords

Amyloid fibril; Free energy landscape; Polyglutamine disease; Protein aggregation; Protein folding; Replica exchange molecular dynamics simulation

Indexed keywords

AMYLOID; DIMER; MONOMER; PEPTIDE; POLYASPARAGINE; POLYGLUTAMINE; POLYLEUCINE; UNCLASSIFIED DRUG;

ARTICLE; BETA SHEET; CALCULATION; ENERGY; HUNTINGTON CHOREA; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN AGGREGATION; PROTEIN FOLDING; PROTEIN STABILITY; PROTEIN STRUCTURE; REPLICA EXCHANGE MOLECULAR DYNAMICS SIMULATION; SIMULATION; STRUCTURE ANALYSIS;

AMYLOID; FLOCCULATION; KINETICS; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS;

EID: 84876420463     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1712-9     Document Type: Article

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