Interactions of a water-soluble fullerene derivative with amyloid-β protofibrils: Dynamics, binding mechanism, and the resulting salt-bridge disruption

Journal of Physical Chemistry B

Volumn 118, Issue 24, 2014, Pages 6733-6741

  Zhou, Xiaoying ^a   Xi, Wenhui ^a   Luo, Yin ^a   Cao, Siqin ^a   Wei, Guanghong ^a  

^a FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BINDING ENERGY; GLYCOPROTEINS; HYDROPHOBICITY; MOLECULAR DYNAMICS; PEPTIDES;

BINDING ENERGY ANALYSIS; EXPLICIT SOLVENT MOLECULAR DYNAMICS; FULLERENE DERIVATIVE; HYDROPHOBIC INTERACTIONS; HYDROPHOBIC RESIDUES; PEPTIDE AGGREGATION; STACKING INTERACTION; STRUCTURAL ALTERATIONS;

FULLERENES;

AMYLOID BETA PROTEIN; AMYLOID BETA-PROTEIN (1-42); FULLERENE DERIVATIVE; INORGANIC SALT; PEPTIDE FRAGMENT; PROTEIN BINDING; WATER;

BINDING SITE; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN SECONDARY STRUCTURE; PROTEIN TERTIARY STRUCTURE; THERMODYNAMICS;

AMYLOID BETA-PEPTIDES; BINDING SITES; FULLERENES; MOLECULAR DYNAMICS SIMULATION; PEPTIDE FRAGMENTS; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; SALTS; THERMODYNAMICS; WATER;

EID: 84902974997     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp503458w     Document Type: Article

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