Cooperative folding mechanism of a β-hairpin peptide studied by a multicanonical replica-exchange molecular dynamics simulation

Proteins: Structure, Function and Genetics

Volumn 66, Issue 4, 2007, Pages 846-859

  Yoda, Takao ^a   Sugita, Yuji ^b   Okamoto, Yuko ^c  

^a NAGAHAMA INSTITUTE OF BIO SCIENCE AND TECHNOLOGY   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

^c NAGOYA UNIVERSITY   (Japan)

Author keywords

Free energy landscape; Generalized ensemble simulation; Protein G; Secondary structure; Turn structure

Indexed keywords

BACTERIAL PROTEIN; PEPTIDE; PROTEIN G;

ARTICLE; ENERGY; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NONHUMAN; PEPTIDE ANALYSIS; PRIORITY JOURNAL; PROTEIN FOLDING; PROTEIN SECONDARY STRUCTURE; PROTEIN STRUCTURE; STREPTOCOCCUS;

ASPARTIC ACID; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; HYDROGEN BONDING; LYSINE; MODELS, MOLECULAR; PEPTIDES; PROTEIN DENATURATION; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; TEMPERATURE;

EID: 33847021237     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21264     Document Type: Article

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