Water plays an important role in osmolyte-induced hairpin structure change: A molecular dynamics simulation study

Journal of Chemical Physics

Volumn 137, Issue 14, 2012, Pages

  Shao, Qiang ^a   Gao, Yi Qin ^b  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

^b PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

2 ,2 ,2-TRIFLUOROETHANOL; CARBONYL GROUPS; COSOLVENTS; DENATURATION PROCESS; EXPERIMENTAL OBSERVATION; FOLDING PROCESS; HAIRPIN CONFORMATION; HAIRPIN STRUCTURES; MODEL PROTEINS; MOLECULAR DYNAMICS SIMULATIONS; OSMOLYTES; PROTEIN STRUCTURES; PROTEIN SURFACE; PURE WATER; STRUCTURE STABILITY;

DENATURATION; ETHANOL; MOLECULAR DYNAMICS; PEPTIDES;

HYDROGEN BONDS;

BACTERIAL PROTEIN; GUANIDINE DERIVATIVE; GUANIDINE THIOCYANATE; PEPTIDE FRAGMENT; SOLVENT; THIOCYANIC ACID DERIVATIVE; TRIFLUOROETHANOL; WATER;

AMINO ACID SEQUENCE; ARTICLE; CHEMISTRY; DOSE RESPONSE; DRUG EFFECT; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR GENETICS; OSMOSIS; PROTEIN DENATURATION; PROTEIN SECONDARY STRUCTURE; PROTEIN STABILITY;

AMINO ACID SEQUENCE; BACTERIAL PROTEINS; DOSE-RESPONSE RELATIONSHIP, DRUG; GUANIDINES; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; OSMOSIS; PEPTIDE FRAGMENTS; PROTEIN DENATURATION; PROTEIN STABILITY; PROTEIN STRUCTURE, SECONDARY; SOLVENTS; THIOCYANATES; TRIFLUOROETHANOL; WATER;

EID: 84867489045     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4757419     Document Type: Article

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