β-hairpin folding and stability: Molecular dynamics simulations of designed peptides in aqueous solution

Journal of Peptide Science

Volumn 10, Issue 9, 2004, Pages 546-565

  Santiveri, Clara M ^a,d   Jiménez, M Ángeles ^a   Rico, Manuel ^a   Van Gunsteren, Wilfred F ^b   Daura, Xavier ^c  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b ETH ZURICH   (Switzerland)

^c UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^d MRC CENTRE FOR PROTEIN ENGINEERING   (United Kingdom)

Author keywords

hairpin; Decapeptide; GROMOS; Molecular dynamics; NMR structure; Pentadecapeptide; Peptide folding

Indexed keywords

PEPTIDE DERIVATIVE; TRYPTOPHAN; TYROSINE;

AMINO ACID SEQUENCE; AQUEOUS SOLUTION; ARTICLE; CHEMICAL MODEL; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; OBSERVATION; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN METABOLISM; PROTEIN PROTEIN INTERACTION; PROTEIN STABILITY; PROTEIN STRUCTURE; RATING SCALE; TEMPERATURE DEPENDENCE;

AMINO ACID SEQUENCE; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDES; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; SOLUTIONS; WATER;

EID: 4544361664     PISSN: 10752617     EISSN: None     Source Type: Journal    
DOI: 10.1002/psc.564     Document Type: Article

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