Thermodynamic and kinetic characterization of a β-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water

Proteins: Structure, Function and Genetics

Volumn 59, Issue 3, 2005, Pages 510-518

  Daidone, Isabella ^a   Amadei, Andrea ^b   Di Nola, Alfredo ^a  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b UNIVERSITY OF ROME TOR VERGATA   (Italy)

Author keywords

hairpin peptide; Molecular dynamics simulations; Thermodynamic characterization

Indexed keywords

AMYLOID; PEPTIDE; PRION PROTEIN; WATER;

ARTICLE; CHEMICAL REACTION KINETICS; CONFORMATIONAL TRANSITION; DIFFUSION; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN FOLDING; PROTEIN STRUCTURE; SIMULATION; THERMODYNAMICS;

COMPUTER SIMULATION; ELECTROSTATICS; KINETICS; MODELS, THEORETICAL; PEPTIDES; PROTEIN STRUCTURE, SECONDARY; SOLUTIONS; THERMODYNAMICS; WATER;

EID: 17844406143     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20427     Document Type: Article

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