Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding

Proceedings of the National Academy of Sciences of the United States of America

Volumn 104, Issue 39, 2007, Pages 15230-15235

  Daidone, Isabella ^a,b   Ulmschneider, Martin B ^b   Di Nola, Alfredo ^b   Amadei, Andrea ^c   Smith, Jeremy C ^a,d  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

^c UNIVERSITY OF ROME TOR VERGATA   (Italy)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

hairpin; Explicit and implicit solvent model; Hydration density; Hydrophobicity; Molecular dynamics simulation

Indexed keywords

PRION PROTEIN; SOLVENT;

ARTICLE; BETA CHAIN; DEHYDRATION; DIFFUSION COEFFICIENT; HYDRATION; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN STABILITY;

AMYLOID; COMPUTER SIMULATION; DIFFUSION; HUMANS; KINETICS; MODELS, STATISTICAL; MOLECULAR CONFORMATION; PEPTIDES; PRIONS; PROTEIN DENATURATION; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; SOLVENTS; THERMODYNAMICS; WATER;

EID: 34848922762     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0701401104     Document Type: Article

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