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Titolo:
Molecular simulation of solution conformations of the amyloid beta-peptideA beta(1-42) by a backpropagation neural network model
Autore:
Mager, PP;
Indirizzi:
Univ Leipzig, Inst Pharmacol & Toxicol, Res Grp Pharmacochem, D-04107 Leipzig, Saxony, Germany Univ Leipzig Leipzig Saxony Germany D-04107 4107 Leipzig, Saxony, Germany
Titolo Testata:
MOLECULAR SIMULATION
fascicolo: 1, volume: 27, anno: 2001,
pagine: 43 -
SICI:
0892-7022(2001)27:1<43:MSOSCO>2.0.ZU;2-Z
Fonte:
ISI
Lingua:
ENG
Soggetto:
ALZHEIMERS-DISEASE; SECONDARY STRUCTURE; CIRCULAR-DICHROISM; MECHANICS MM3; PROTEIN; PRECURSOR; COIL;
Keywords:
optimized backpropagation neural network; circular dichroism spectral; amyloid beta-peptide; Alzheimer's disease; beta-sheet; conformation-dependent biological activity; molecular modelling;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
22
Recensione:
Indirizzi per estratti:
Indirizzo: Mager, PP Univ Leipzig, Inst Pharmacol & Toxicol, Res Grp Pharmacochem, Hartelstr 16-18, D-04107 Leipzig, Saxony, Germany Univ Leipzig Hartelstr 16-18 Leipzig Saxony Germany D-04107 many
Citazione:
P.P. Mager, "Molecular simulation of solution conformations of the amyloid beta-peptideA beta(1-42) by a backpropagation neural network model", MOL SIMULAT, 27(1), 2001, pp. 43

Abstract

The predictive power of solution-dependent conformational states of the A beta (1-42) peptide of Alzheimer's disease by an optimized backpropagation neural network was tested. It was found that the neural network simulates well the solution-dependent conformations. The model was also examined by using geometry-optimized conformations (hybrid approach of Gasteiger charges plus MM+ molecular-mechanics) where the initial coordinates were obtained by NMR solution spectroscopy.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 01/12/20 alle ore 07:50:40