Identification of small-molecule binding pockets in the soluble monomeric form of the Aβ42 peptide

Journal of Chemical Physics

Volumn 139, Issue 3, 2013, Pages

  Zhu, Maximillian ^a   De Simone, Alfonso ^a   Schenk, Dale ^b   Toth, Gergely ^a   Dobson, Christopher M ^a   Vendruscolo, Michele ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b ELAN PHARMACEUTICALS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DRUG DELIVERY; MOLECULAR DYNAMICS; MOLECULES;

BINDING POCKETS; INTRINSICALLY DISORDERED PROTEINS; MOLECULAR DYNAMICS SIMULATIONS; MONOMERIC FORMS; SMALL MOLECULES; SMALL-MOLECULE BINDINGS; STRUCTURE-BASED; THERAPEUTIC STRATEGY;

PEPTIDES;

AMYLOID BETA PROTEIN; AMYLOID BETA PROTEIN (1 42); AMYLOID BETA-PROTEIN (1-42); PEPTIDE FRAGMENT; PROTEIN BINDING;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CHEMISTRY; DRUG DESIGN; METABOLISM; MOLECULAR DYNAMICS; MOLECULAR GENETICS; PROTEIN BINDING; PROTEIN SECONDARY STRUCTURE; SOLUBILITY;

AMINO ACID SEQUENCE; AMYLOID BETA-PEPTIDES; BINDING SITES; DRUG DESIGN; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PEPTIDE FRAGMENTS; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; SOLUBILITY;

EID: 84884516817     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4811831     Document Type: Article

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