Stable conformation of full-length amyloid-β (1-42) monomer in water: Replica exchange molecular dynamics and ab initio molecular orbital simulations

Chemical Physics Letters

Volumn 577, Issue , 2013, Pages 131-137

  Okamoto, Akisumi ^a   Yano, Atsushi ^a   Nomura, Kazuya ^a   Higai, Shin'Ichi ^b   Kurita, Noriyuki ^a  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^b MURATA MANUFACTURING CO LTD   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR ORBITALS; ALZHEIMER'S DISEASE; AMINO ACID RESIDUES; CLASSICAL FORCE FIELDS; FRAGMENT MOLECULAR ORBITAL; MOLECULAR PATHOGENESIS; REPLICA EXCHANGE MOLECULAR DYNAMICS; REPLICA-EXCHANGE MOLECULAR DYNAMICS SIMULATIONS;

AMINO ACIDS; CALCULATIONS; GLYCOPROTEINS; MOLECULAR DYNAMICS; MOLECULAR ORBITALS; MONOMERS; PROTEINS;

CONFORMATIONS;

EID: 84879689764     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.05.057     Document Type: Article

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