Metadynamics simulation of prion protein: β-structure stability and the early stages of misfolding

Journal of the American Chemical Society

Volumn 128, Issue 8, 2006, Pages 2705-2710

  Barducci, Alessandro ^a,b   Chelli, Riccardo ^a,b,c   Procacci, Piero ^a,b   Schettino, Vincenzo ^a,b   Gervasio, Francesco L ^d   Parrinello, Michele ^d  

^a UNIVERSITY OF FLORENCE   (Italy)

^b UNIVERSITY OF FLORENCE   (Italy)

^c Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali ^*  (Italy)

^d ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONOMERS; REACTION KINETICS;

HYDROGEN BONDING NETWORK; METADYNAMICS SIMULATION; PRION PROTEINS; STRUCTURE STABILITY;

PROTEINS;

PRION PROTEIN;

ARTICLE; BETA SHEET; EARLY DIAGNOSIS; GENE DISRUPTION; GENE MUTATION; GROWTH REGULATION; MOLECULAR DYNAMICS; MOLECULAR STABILITY; PATHOGENESIS; PROTEIN FOLDING; PROTEIN STRUCTURE; SIMULATION;

ANIMALS; COMPUTER SIMULATION; MICE; MODELS, MOLECULAR; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; PRPC PROTEINS; THERMODYNAMICS;

EID: 33644682649     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja057076l     Document Type: Article

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