Combining classical MD and QM calculations to elucidate complex system nucleation: A twisted, three-stranded, parallel β-sheet seeds amyloid fibril conception

Journal of Physical Chemistry B

Volumn 118, Issue 26, 2014, Pages 7312-7316

  Mompeán, Miguel ^a   González, Carlos ^a   Lomba, Enrique ^a   Laurents, Douglas V ^a  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

GLYCOPROTEINS; MOLECULAR DYNAMICS; NANOWIRES;

AMYLOID FORMATION; INITIAL STRUCTURES; MOLECULAR DYNAMICS SIMULATIONS; PLAUSIBLE INTERMEDIATES; QM CALCULATIONS; QUANTUM-MECHANICAL CALCULATION; STABILIZING INTERACTIONS; THEORETICAL CALCULATIONS;

POLYPEPTIDES;

PRION;

AMINO ACID SEQUENCE; CHEMISTRY; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PRION; PROTEIN SECONDARY STRUCTURE; QUANTUM THEORY; THERMODYNAMICS;

AMINO ACID SEQUENCE; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PRIONS; PROTEIN STRUCTURE, SECONDARY; QUANTUM THEORY; THERMODYNAMICS;

EID: 84903764227     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp503742p     Document Type: Article

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