Computational study of the binding of CuII to Alzheimer's amyloid-β peptide: Do Aβ42 and Aβ40 bind copper in identical fashion?

Journal of Biological Inorganic Chemistry

Volumn 13, Issue 8, 2008, Pages 1197-1204

  Mantri, Yogita ^a   Fioroni, Marco ^a   Baik, Mu Hyun ^a  

^a INDIANA UNIVERSITY   (United States)

Author keywords

Alzheimer's disease; Combined quantum mechanical (density functional theory) classical molecular dynamics simulations; Copper A 42 binding; Copper peptide binding energies

Indexed keywords

AMYLOID BETA PEPTIDE 40; AMYLOID BETA PEPTIDE 42; AMYLOID BETA PROTEIN; COPPER; CUPRIC ION; UNCLASSIFIED DRUG;

ALZHEIMER DISEASE; ARTICLE; CARBOXY TERMINAL SEQUENCE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ISOMER; MATHEMATICAL COMPUTING; METAL BINDING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN STRUCTURE; QUANTUM MECHANICS; SIMULATION;

ALGORITHMS; ALZHEIMER DISEASE; AMYLOID BETA-PROTEIN; CATIONS, DIVALENT; COMPUTER SIMULATION; COPPER; ELECTRON SPIN RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PEPTIDE FRAGMENTS; PROTEIN BINDING; QUANTUM THEORY; THERMODYNAMICS;

EID: 55949133729     PISSN: 09498257     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00775-008-0403-6     Document Type: Article

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