Studies on the structures and interactions of glutathione in aqueous solution by molecular dynamics simulations and NMR spectroscopy

Journal of Molecular Liquids

Volumn 162, Issue 1, 2011, Pages 20-25

  Zhang, Rong ^a   Wu, Wenjuan ^a  

^a GUANGDONG PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

All atom molecular simulations; GSH aqueous solutions; NMR spectroscopy

Indexed keywords

AMIDE HYDROGENS; GLUTATHIONES; HYDROGEN ATOMS; HYDROGEN BONDING INTERACTIONS; HYDROGEN BONDING NETWORK; INTRAMOLECULAR DISTANCES; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; PHYSIOLOGICAL CONDITION; RADIUS OF GYRATION; ROOT-MEAN SQUARE DEVIATION; SOLVENT-ACCESSIBLE SURFACES; TEMPERATURE DEPENDENT;

AMIDES; AMINO ACIDS; ATOMIC SPECTROSCOPY; ATOMS; CONFORMATIONS; HYDROGEN; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

SOLUTIONS;

EID: 79960021150     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2011.05.010     Document Type: Article

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