Common folding mechanism of a β-hairpin peptide via non-native turn formation revealed by unbiased molecular dynamics simulations

Journal of the American Chemical Society

Volumn 131, Issue 50, 2009, Pages 18147-18152

  Thukral, Lipi ^a   Smith, Jeremy C ^a,b   Daidone, Isabella ^c  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b UNIVERSITY OF TENNESSEE AT CHATTANOOGA   (United States)

^c UNIVERSITY OF L'AQUILA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MOLECULAR DYNAMICS; DIRECT TRANSITION; EXPLICIT SOLVENTS; FOLDED STATE; FOLDING MECHANISM; FOLDING PROCESS; FOLDING TIME; MOLECULAR DYNAMICS SIMULATIONS; NON-NATIVE; ROOM TEMPERATURE; SAMPLING TECHNIQUE; SIDE-CHAIN;

HYDROGEN BONDS; MOLECULAR DYNAMICS; PEPTIDES;

AMINES;

BETA HAIRPIN PEPTIDE; PEPTIDE; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; COMPUTER MODEL; CONTROLLED STUDY; EXPERIMENT; HYDROGEN BOND; KINETICS; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN STRUCTURE; ROOM TEMPERATURE; SIMULATION;

KINETICS; MOLECULAR DYNAMICS SIMULATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDE FRAGMENTS; PROTEIN CONFORMATION; PROTEIN FOLDING; SOLUTIONS;

EID: 72449194759     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9064365     Document Type: Article

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