Molecular mechanism for the effects of trehalose on β-hairpin folding revealed by molecular dynamics simulation

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 4, 2008, Pages 421-429

  Liu, Fu Feng ^a   Dong, Xiao Yan ^a   Sun, Yan ^a  

^a TIANJIN UNIVERSITY   (China)

Author keywords

Free energy landscape; Hydrogen bond; Molecular simulation; Osmolyte; Peptide folding

Indexed keywords

AMINES; BINDING SITES; CONCENTRATION (PROCESS); DYNAMICS; ENERGY BARRIERS; FREE ENERGY; HYDROGEN; HYDROGEN BONDS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; WATER ANALYSIS;

ATOM MODELS; ENERGY BASINS; ENERGY LANDSCAPES; FOLDING PATHWAYS; FREE ENERGY LANDSCAPE; H-BONDS; INHIBITION EFFECTS; INTERMEDIATE STATES; MOLECULAR ADDITIVES; MOLECULAR BASES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANISMS; MOLECULAR SIMULATION; NATIVE STRUCTURES; OSMOLYTE; PEPTIDE BACKBONES; PEPTIDE FOLDING; PEPTIDE FOLDS; POTENTIAL ENERGY BARRIERS; PURE WATERS; RATIONAL DESIGNS; TREHALOSE MOLECULES;

PROTEIN FOLDING;

BETA HAIRPIN PEPTIDE; PEPTIDE; TREHALOSE; UNCLASSIFIED DRUG; WATER;

ARTICLE; HYDROGEN BOND; LANDSCAPE; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN STABILITY; PROTEIN STRUCTURE;

COMPUTER SIMULATION; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PEPTIDES; PROTEIN FOLDING; TREHALOSE;

EID: 55949108077     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2008.07.002     Document Type: Article

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