Structure and dynamics of two β-peptides in solution from molecular dynamics simulations validated against experiment

European Biophysics Journal

Volumn 37, Issue 6, 2008, Pages 903-912

  Zagrovic, Bojan ^a,b   Gattin, Zrinka ^a   Lau, Justin Kai Chi ^a   Huber, Matthias ^a   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b Mediterranean Institute for Life Sciences   (Croatia)

Author keywords

peptides; Force field validation; GROMOS 53A6; Molecular dynamics

Indexed keywords

HEPTAPEPTIDE; HEXAPEPTIDE; METHANOL; SOLVENT;

ACCURACY; ARTICLE; CALCULATION; COMPARATIVE STUDY; CONFORMATION; DYNAMICS; EXPERIMENT; FORCE; MOLECULAR DYNAMICS; NUCLEAR OVERHAUSER EFFECT; PROTEIN STRUCTURE; SAMPLING; SIMULATION; VALIDATION STUDY;

COMPUTER SIMULATION; METHANOL; MODELS, CHEMICAL; MODELS, MOLECULAR; PEPTIDES; SOLUTIONS;

EID: 45849142920     PISSN: 01757571     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00249-008-0307-y     Document Type: Article

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